data_GaBi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   4.66
_cell_angle_alpha   107.67
_cell_angle_beta   107.67
_cell_angle_gamma   28.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBi2Cl
_chemical_formula_sum   'Ga1 Bi2 Cl1'
_cell_volume   114.65
_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  Ga3  1  0.42  0.0  0.21  1.0
  Bi  Bi0  1  0.09  0.0  0.34  1.0
  Bi  Bi1  1  0.75  0.0  0.08  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_GaBi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.66
_cell_length_c   7.37
_cell_angle_alpha   107.67
_cell_angle_beta   104.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBi2Cl
_chemical_formula_sum   'Ga1 Bi2 Cl1'
_cell_volume   114.65
_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  0.21  0.42  1.0
  Bi  Bi1  1  0.0  0.08  0.75  1.0
  Bi  Bi2  1  0.0  0.34  0.09  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ga Bi Bi Cl
Ga Bi Bi Cl 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 + o o 