data_[Al2In1Ag1Br8]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.6154]
_cell_length_b [7.6154]
_cell_length_c [9.2355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Al2InAgBr8]
_chemical_formula_sum '[Al2 In1 Ag1 Br8]'
_cell_volume [463.8464]
_cell_formula_units_Z [1]
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  0.2950  1.0
  In  In1  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  6  0.1655  0.8345  0.2100  1.0
  Br  Br4  2  0.3333  0.6667  0.5431  1.0
]