data_[Ga5Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.8479]
_cell_length_b [8.8479]
_cell_length_c [16.4592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Ga5Bi4]
_chemical_formula_sum '[Ga5 Bi4]'
_cell_volume [1115.8896]
_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
[
  Ga  Ga0  3  0.0000  0.3112  0.5314  1
  Ga  Ga1  2  0.3333  0.6667  0.4593  1
  Bi  Bi2  3  0.0000  0.6465  0.5148  1
  Bi  Bi3  1  0.0000  0.0000  0.4427  1
]