data_Ga2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.98
_cell_angle_alpha   107.27
_cell_angle_beta   107.27
_cell_angle_gamma   50.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2SiBi
_chemical_formula_sum   'Ga2 Si1 Bi1'
_cell_volume   88.82
_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  0.25  0.0  0.29  1.0
  Ga  Ga2  1  0.52  0.0  0.06  1.0
  Si  Si3  1  0.03  0.0  0.26  1.0
  Bi  Bi0  1  0.77  0.0  0.49  1.0

data_Ga2SiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.52
_cell_length_c   5.98
_cell_angle_alpha   107.27
_cell_angle_beta   90.0
_cell_angle_gamma   115.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2SiBi
_chemical_formula_sum   'Ga2 Si1 Bi1'
_cell_volume   88.82
_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  0.48  0.94  1.0
  Ga  Ga1  1  0.0  0.75  0.71  1.0
  Si  Si2  1  0.0  0.97  0.74  1.0
  Bi  Bi3  1  0.0  0.23  0.51  1.0

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