data_[Ba3Ge2Bi3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9645]
_cell_length_b [4.9763]
_cell_length_c [12.0394]
_cell_angle_alpha [101.6953]
_cell_angle_beta [90.9691]
_cell_angle_gamma [89.9975]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba3Ge2Bi3]
_chemical_formula_sum '[Ba3 Ge2 Bi3]'
_cell_volume [291.2191]
_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
[
  Ba  Ba0  2  0.4995  0.8352  0.6706  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.0139  0.2748  0.5449  1.0
  Bi  Bi3  2  0.0017  0.3910  0.7829  1.0
  Bi  Bi4  1  0.5000  0.5000  0.0000  1.0
]