data_[Ba2Ga2Bi2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0105]
_cell_length_b [7.1833]
_cell_length_c [8.8278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaGaBiSe4]
_chemical_formula_sum '[Ba2 Ga2 Bi2 Se8]'
_cell_volume [423.1694]
_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  2  0.2548  0.2500  0.0596  1
  Ga  Ga1  2  0.2239  0.7500  0.3171  1
  Bi  Bi2  2  0.2338  0.2500  0.5419  1
  Se  Se3  4  0.0049  0.5108  0.7297  1
  Se  Se4  2  0.4319  0.7500  0.1446  1
  Se  Se5  2  0.4438  0.7500  0.5870  1
]