data_Ga3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.59
_cell_angle_alpha   105.86
_cell_angle_beta   105.86
_cell_angle_gamma   40.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Bi
_chemical_formula_sum   'Ga3 Bi1'
_cell_volume   92.71
_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  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.24  0.0  0.27  1.0
  Ga  Ga3  1  0.77  0.0  0.08  1.0
  Bi  Bi0  1  0.01  0.0  0.67  1.0

data_Ga3Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.15
_cell_length_c   5.59
_cell_angle_alpha   105.86
_cell_angle_beta   90.0
_cell_angle_gamma   110.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Bi
_chemical_formula_sum   'Ga3 Bi1'
_cell_volume   92.71
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.23  0.92  1.0
  Ga  Ga2  1  0.0  0.76  0.73  1.0
  Bi  Bi3  1  0.0  0.99  0.33  1.0

Ga Ga Ga Bi
Ga Ga Ga Bi 0 2 - o o 0 1 o o o 0 3 o o - 