data_ZrGa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   4.15
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   97.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Bi
_chemical_formula_sum   'Zr1 Ga2 Bi1'
_cell_volume   88.19
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.96  0.07  0.95  1.0
  Ga  Ga2  1  0.62  0.07  0.31  1.0
  Bi  Bi0  1  0.6  0.0  0.13  1.0

data_ZrGa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.15
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   97.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Bi
_chemical_formula_sum   'Zr1 Ga2 Bi1'
_cell_volume   88.19
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.62  0.07  0.31  1.0
  Ga  Ga2  1  0.96  0.07  0.95  1.0
  Bi  Bi3  1  0.6  0.0  0.13  1.0

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