data_Zr2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   10.7
_cell_angle_alpha   110.95
_cell_angle_beta   110.95
_cell_angle_gamma   35.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Bi
_chemical_formula_sum   'Zr4 Bi2'
_cell_volume   241.86
_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  0.03  0.0  0.75  1.0
  Zr  Zr3  1  0.67  0.0  0.31  1.0
  Zr  Zr4  1  0.61  0.0  0.61  1.0
  Zr  Zr5  1  0.24  0.0  0.17  1.0
  Bi  Bi0  1  0.07  0.0  0.67  1.0
  Bi  Bi1  1  0.2  0.0  0.25  1.0

data_Zr2Bi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.97
_cell_length_b   6.46
_cell_length_c   10.34
_cell_angle_alpha   75.25
_cell_angle_beta   78.94
_cell_angle_gamma   72.12
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zr2Bi
_chemical_formula_sum   'Zr4 Bi2'
_cell_volume   241.86
_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  0.0  0.1  0.29  1.0
  Zr  Zr1  2  0.0  0.18  0.85  1.0
  Bi  Bi2  2  0.0  0.22  0.21  1.0

Zr Zr Zr Zr Bi Bi