data_ZnGa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   128.06
_cell_angle_beta   128.06
_cell_angle_gamma   76.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Bi
_chemical_formula_sum   'Zn1 Ga2 Bi1'
_cell_volume   89.79
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.16  1.0
  Ga  Ga2  1  0.0  0.32  0.08  1.0
  Bi  Bi0  1  0.32  0.0  0.08  1.0

data_ZnGa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.3
_cell_angle_alpha   115.97
_cell_angle_beta   115.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Bi
_chemical_formula_sum   'Zn1 Ga2 Bi1'
_cell_volume   89.79
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.24  0.32  0.24  1.0
  Ga  Ga2  1  0.84  0.0  0.84  1.0
  Bi  Bi3  1  0.92  0.0  0.24  1.0

Zn Ga Ga Bi
Zn Ga Ga Bi 0 1 o o o 0 2 o o o 0 3 o o o 