# 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:  CuNa2O7P2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2C7D2_mP48_14_e_2e_7e_2e-001

# Last updated on 2024/08/01

data_Cu4Na8O28P8
_pd_phase_name Cu4Na8O28P8
_cell_length_a  8.8230006807
_cell_length_b  13.4940000000
_cell_length_c  10.4063908384
_cell_angle_alpha  90.0000000000
_cell_angle_beta  150.6410989593
_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
Cu1 1.0000000000 0.5372000000 0.6584000000 0.7948800000  Biso 1.0 Cu 4 e
Na2 1.0000000000 0.1148000000 0.7082000000 0.7665000000  Biso 1.0 Na 4 e
Na3 1.0000000000 0.6504000000 0.3902000000 0.7812000000  Biso 1.0 Na 4 e
O10 1.0000000000 0.8572000000 0.9344000000 0.7656000000  Biso 1.0 O 4 e
O4 1.0000000000 0.5966000000 0.7756000000 0.5085000000  Biso 1.0 O 4 e
O5 1.0000000000 0.1378000000 0.7741000000 0.9981000000  Biso 1.0 O 4 e
O6 1.0000000000 0.4015000000 0.9470000000 0.0800000000  Biso 1.0 O 4 e
O7 1.0000000000 0.9681000000 0.8873000000 0.6184000000  Biso 1.0 O 4 e
O8 1.0000000000 0.9902000000 0.0674000000 0.7055000000  Biso 1.0 O 4 e
O9 1.0000000000 0.6843000000 0.8120000000 0.8075000000  Biso 1.0 O 4 e
P11 1.0000000000 0.0644500000 0.9630700000 0.7929500000  Biso 1.0 P 4 e
P12 1.0000000000 0.8152600000 0.8190100000 0.7712000000  Biso 1.0 P 4 e
