data_[Ba10Ga4Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8983]
_cell_length_b [4.8519]
_cell_length_c [13.4103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.7803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5Ga2Bi5]
_chemical_formula_sum '[Ba10 Ga4 Bi10]'
_cell_volume [932.7494]
_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  4  0.1301  0.5000  0.3163  1.0
  Ba  Ba1  4  0.1850  0.5000  0.0748  1.0
  Ba  Ba2  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga3  4  0.1532  0.5000  0.8042  1.0
  Bi  Bi4  4  0.0560  0.0000  0.8043  1.0
  Bi  Bi5  4  0.1915  0.5000  0.6280  1.0
  Bi  Bi6  2  0.0000  0.0000  0.0000  1.0
]