data_Ga3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   116.51
_cell_angle_beta   116.51
_cell_angle_gamma   116.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Bi
_chemical_formula_sum   'Ga3 Bi1'
_cell_volume   93.18
_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  Ga1  1  0.53  0.57  0.1  1.0
  Ga  Ga2  1  0.47  0.57  0.1  1.0
  Ga  Ga3  1  0.0  0.86  0.1  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0

data_Ga3Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   116.51
_cell_angle_beta   100.9
_cell_angle_gamma   100.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Bi
_chemical_formula_sum   'Ga3 Bi1'
_cell_volume   93.18
_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  1  0.1  0.1  0.25  1.0
  Ga  Ga1  1  0.1  0.63  0.53  1.0
  Ga  Ga2  1  0.1  0.57  0.53  1.0
  Bi  Bi3  1  0.0  0.0  0.0  1.0

Ga Ga Ga Bi