# 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:  P2Zn

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B_mP24_14_4e_2e-001

# Last updated on 2024/08/01

data_P16Zn8
_pd_phase_name P16Zn8
_cell_length_a  12.8210966445
_cell_length_b  7.2913000000
_cell_length_c  7.5615000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  137.4927470320
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/c'
_symmetry_Int_Tables_Number  14
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z+1/2
  3  -x,-y,-z
  4  x,-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
P1 1.0000000000 0.6254700000 0.4272400000 0.4094800000  Biso 1.0 P 4 e
P2 1.0000000000 0.7649900000 0.0197000000 0.3241900000  Biso 1.0 P 4 e
P3 1.0000000000 0.7572500000 0.4848000000 0.3294400000  Biso 1.0 P 4 e
P4 1.0000000000 0.9212900000 0.2565400000 0.5255800000  Biso 1.0 P 4 e
Zn5 1.0000000000 0.9194600000 0.7469500000 0.5255500000  Biso 1.0 Zn 4 e
Zn6 1.0000000000 0.6068800000 0.0964700000 0.3819700000  Biso 1.0 Zn 4 e
