data_[Ba16In8Ga24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [9.1386]
_cell_length_b [10.4234]
_cell_length_c [15.8606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2InGa3]
_chemical_formula_sum '[Ba16 In8 Ga24]'
_cell_volume [1510.8042]
_cell_formula_units_Z [8]
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
[
  Ba  Ba0  8  0.0000  0.2499  0.0000  1.0
  Ba  Ba1  8  0.2500  0.2500  0.2500  1.0
  In  In2  8  0.0000  0.0000  0.1667  1.0
  Ga  Ga3  16  0.2415  0.0000  0.5805  1.0
  Ga  Ga4  8  0.0000  0.0000  0.3390  1.0
]