# 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:  N5P3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A5B3_mC32_9_5a_3a-001

# Last updated on 2024/08/01

data_N20P12
_pd_phase_name N20P12
_cell_length_a  8.1207700000
_cell_length_b  5.8343300000
_cell_length_c  14.6500933559
_cell_angle_alpha  90.0000000000
_cell_angle_beta  145.7443509922
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Cc'
_symmetry_Int_Tables_Number  9
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  x,-y,z+1/2
  3  x+1/2,y+1/2,z
  4  x+1/2,-y+1/2,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
N1 1.0000000000 0.2780000000 0.7470000000 0.2690000000  Biso 1.0 N 4 a
N2 1.0000000000 0.5790000000 0.0910000000 0.4500000000  Biso 1.0 N 4 a
N3 1.0000000000 0.9360000000 0.3690000000 0.0660000000  Biso 1.0 N 4 a
N4 1.0000000000 0.2890000000 0.1010000000 0.1470000000  Biso 1.0 N 4 a
N5 1.0000000000 0.2040000000 0.3850000000 0.3480000000  Biso 1.0 N 4 a
P6 1.0000000000 0.0000000000 0.2682000000 0.0000000000  Biso 1.0 P 4 a
P7 1.0000000000 0.4450000000 0.9500000000 0.3090000000  Biso 1.0 P 4 a
P8 1.0000000000 0.0610000000 0.5424000000 0.1960000000  Biso 1.0 P 4 a
