data_[Cs4In40Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.2804]
_cell_length_b [15.0425]
_cell_length_c [15.5828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Cs(In5Ga)2]
_chemical_formula_sum '[Cs4 In40 Ga8]'
_cell_volume [1472.1641]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.0000  0.0000  0.0000  1
  In  In1  16  0.0000  0.1073  0.3841  1
  In  In2  16  0.0000  0.1732  0.1824  1
  In  In3  8  0.2500  0.2500  0.0000  1
  Ga  Ga4  8  0.2500  0.0000  0.2500  1
]