data_ZrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   6.53
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   107.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi
_chemical_formula_sum   'Zr2 Bi2'
_cell_volume   143.66
_cell_formula_units_Z   2
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  Zr2  1  0.13  0.9  0.02  1.0
  Zr  Zr3  1  0.83  0.63  0.8  1.0
  Bi  Bi0  1  0.12  0.9  0.77  1.0
  Bi  Bi1  1  0.85  0.63  0.05  1.0

data_ZrBi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.78
_cell_length_b   6.1
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.27
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrBi
_chemical_formula_sum   'Zr2 Bi2'
_cell_volume   143.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.15  0.11  0.13  1.0
  Bi  Bi1  2  0.14  0.86  0.13  1.0

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