# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988

# Chemical Composition:  P hittorf's phosphorus

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A_mP84_13_21g-001

# Last updated on 2024/08/01
data_P84
_pd_phase_name P84
_cell_length_a  21.9121023261
_cell_length_b  9.1500000000
_cell_length_c  24.8830998209
_cell_angle_alpha  90.0000000000
_cell_angle_beta  158.4829637439
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2/c'
_symmetry_Int_Tables_Number  13
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z+1/2
  3  -x,-y,-z
  4  x,-y,z+1/2
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
P10 1.0000000000 0.9091400000 0.1588100000 0.9541100000  Biso 1.0 P 4 g
P1 1.0000000000 0.9379500000 0.2012700000 0.1194200000  Biso 1.0 P 4 g
P11 1.0000000000 0.6415500000 0.1387800000 0.7150100000  Biso 1.0 P 4 g
P12 1.0000000000 0.6593200000 0.9091900000 0.7039600000  Biso 1.0 P 4 g
P13 1.0000000000 0.3989000000 0.8726400000 0.4673200000  Biso 1.0 P 4 g
P14 1.0000000000 0.4422500000 0.6371500000 0.4752900000  Biso 1.0 P 4 g
P15 1.0000000000 0.1728100000 0.6371500000 0.2389800000  Biso 1.0 P 4 g
P16 1.0000000000 0.1620100000 0.4055500000 0.2062100000  Biso 1.0 P 4 g
P17 1.0000000000 0.8016200000 0.3890500000 0.9738100000  Biso 1.0 P 4 g
P18 1.0000000000 0.5132400000 0.1005500000 0.6868100000  Biso 1.0 P 4 g
P19 1.0000000000 0.2572600000 0.8238400000 0.4266600000  Biso 1.0 P 4 g
P20 1.0000000000 0.0839200000 0.6458100000 0.2512400000  Biso 1.0 P 4 g
P2 1.0000000000 0.9399700000 0.0326200000 0.0569200000  Biso 1.0 P 4 g
P21 1.0000000000 0.5446200000 0.3229600000 0.7452200000  Biso 1.0 P 4 g
P3 1.0000000000 0.6894400000 0.9476900000 0.8697900000  Biso 1.0 P 4 g
P4 1.0000000000 0.6914300000 0.7809900000 0.8077700000  Biso 1.0 P 4 g
P5 1.0000000000 0.4470300000 0.6787200000 0.6208300000  Biso 1.0 P 4 g
P6 1.0000000000 0.4765900000 0.5153200000 0.5806100000  Biso 1.0 P 4 g
P7 1.0000000000 0.2215300000 0.4493200000 0.3937700000  Biso 1.0 P 4 g
P8 1.0000000000 0.1908000000 0.2774100000 0.3075200000  Biso 1.0 P 4 g
P9 1.0000000000 0.8963000000 0.3906700000 0.9687500000  Biso 1.0 P 4 g
