# 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:  Gd2Mo3O12

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B3C12_oP68_32_2c_3c_12c-001

# Last updated on 2024/08/01

data_Gd8Mo12O48
_pd_phase_name Gd8Mo12O48
_cell_length_a  10.3858200000
_cell_length_b  10.4186100000
_cell_length_c  10.7003900000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pba2'
_symmetry_Int_Tables_Number  32
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
Gd1 1.0000000000 0.4947000000 0.6878000000 0.7622000000  Biso 1.0 Gd 4 c
Gd2 1.0000000000 0.3122000000 0.9940000000 0.2369000000  Biso 1.0 Gd 4 c
Mo3 1.0000000000 0.4916000000 0.7069000000 0.1424000000  Biso 1.0 Mo 4 c
Mo4 1.0000000000 0.2936000000 0.0034000000 0.8571000000  Biso 1.0 Mo 4 c
Mo5 1.0000000000 0.2572000000 0.2439000000 0.5000000000  Biso 1.0 Mo 4 c
O6  1.0000000000 0.3830000000 0.8860000000 0.7900000000  Biso 1.0 O  4 c
O7  1.0000000000 0.1350000000 0.8710000000 0.2060000000  Biso 1.0 O  4 c
O8  1.0000000000 0.1510000000 0.6590000000 0.8230000000  Biso 1.0 O  4 c
O9  1.0000000000 0.3480000000 0.6490000000 0.2030000000  Biso 1.0 O  4 c
O10 1.0000000000 0.3150000000 0.8640000000 0.3990000000  Biso 1.0 O  4 c
O11 1.0000000000 0.1300000000 0.8210000000 0.5940000000  Biso 1.0 O  4 c
O12 1.0000000000 0.3610000000 0.6680000000 0.5980000000  Biso 1.0 O  4 c
O13 1.0000000000 0.1690000000 0.6290000000 0.4100000000  Biso 1.0 O  4 c
O14 1.0000000000 0.9800000000 0.8040000000 0.9780000000  Biso 1.0 O  4 c
O15 1.0000000000 0.3080000000 0.9840000000 0.0150000000  Biso 1.0 O  4 c
O16 1.0000000000 0.0050000000 0.6280000000 0.1940000000  Biso 1.0 O  4 c
O17 1.0000000000 0.3700000000 0.4890000000 0.8080000000  Biso 1.0 O  4 c
