data_[Ba24In10Ga4]
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 [C2/m]
_cell_length_a [19.5003]
_cell_length_b [8.5821]
_cell_length_c [11.9612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba12In5Ga2]
_chemical_formula_sum '[Ba24 In10 Ga4]'
_cell_volume [1901.7469]
_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
[
  Ba  Ba0  8  0.1476  0.2572  0.5485  1
  Ba  Ba1  8  0.1786  0.2529  0.1081  1
  Ba  Ba2  4  0.0073  0.5000  0.1895  1
  Ba  Ba3  4  0.0918  0.0000  0.8029  1
  In  In4  4  0.1720  0.5000  0.8347  1
  In  In5  4  0.2001  0.5000  0.3473  1
  In  In6  2  0.0000  0.0000  0.5000  1
  Ga  Ga7  4  0.0000  0.1420  0.0000  1
]