data_[Al2In2W2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.0615]
_cell_length_b [5.0615]
_cell_length_c [9.3058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [AlInWO6]
_chemical_formula_sum '[Al2 In2 W2 O12]'
_cell_volume [206.4620]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Al  Al0  2  0.3333  0.6667  0.2500  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  W  W2  2  0.3333  0.6667  0.7500  1.0
  O  O3  12  0.0046  0.3608  0.1375  1.0
]