# 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:  CuLa2O4

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2C4_mC28_8_2a_4a_4a2b-001

# Last updated on 2024/08/01

data_Cu4La8O16
_pd_phase_name Cu4La8O16
_cell_length_a  13.1432000000
_cell_length_b  5.3568000000
_cell_length_c  5.4058000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Cm'
_symmetry_Int_Tables_Number  8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  x,-y,z
  3  x+1/2,y+1/2,z
  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
Cu1 1.0000000000 0.0015600000 0.0000000000 0.0010000000  Biso 1.0 Cu 2 a
Cu2 1.0000000000 0.4984400000 0.0000000000 0.4997000000  Biso 1.0 Cu 2 a
La3 1.0000000000 0.6385100000 -0.0000000000 0.9933100000  Biso 1.0 La 2 a
La4 1.0000000000 0.3614900000 0.0000000000 0.0066900000  Biso 1.0 La 2 a
La5 1.0000000000 0.1385100000 0.0000000000 0.5066900000  Biso 1.0 La 2 a
La6 1.0000000000 0.8614900000 -0.0000000000 0.4933100000  Biso 1.0 La 2 a
O10 1.0000000000 0.3163500000 0.0000000000 0.5300000000  Biso 1.0 O 2 a
O7 1.0000000000 0.8163500000 -0.0000000000 0.0300000000  Biso 1.0 O 2 a
O8 1.0000000000 0.1836500000 0.0000000000 0.9620000000  Biso 1.0 O 2 a
O9 1.0000000000 0.6836500000 -0.0000000000 0.5380000000  Biso 1.0 O 2 a
O11 1.0000000000 0.0070500000 0.7500000000 0.2497000000  Biso 1.0 O 4 b
O12 1.0000000000 0.4925000000 0.2500000000 0.7496000000  Biso 1.0 O 4 b
