# 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:  NaP

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB_oP16_19_2a_2a-001

# Last updated on 2024/08/01

data_NaP
_pd_phase_name NaP
_cell_length_a  6.0380000000
_cell_length_b  5.6430000000
_cell_length_c  10.1420000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}2_{1}2_{1}'
_symmetry_Int_Tables_Number  19
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  -x,y+1/2,-z+1/2
  4  x+1/2,-y+1/2,-z
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
Na1 1.0000000000 0.4174000000 0.9089000000 0.0318000000  Biso 1.0 Na 4 a
Na2 1.0000000000 0.1338000000 0.6367000000 0.3313000000  Biso 1.0 Na 4 a
P3  1.0000000000 0.3086000000 0.1404000000 0.2838000000  Biso 1.0 P  4 a
P4  1.0000000000 0.4287000000 0.4020000000 0.1341000000  Biso 1.0 P  4 a
