data_ZrBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   45.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2
_chemical_formula_sum   'Zr2 Bi4'
_cell_volume   209.53
_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  Zr4  1  0.57  0.71  0.32  1.0
  Zr  Zr5  1  0.57  0.29  0.44  1.0
  Bi  Bi0  1  0.14  0.46  0.32  1.0
  Bi  Bi1  1  0.01  0.54  0.44  1.0
  Bi  Bi2  1  0.01  0.46  0.32  1.0
  Bi  Bi3  1  0.14  0.54  0.44  1.0

data_ZrBi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.53
_cell_length_b   5.76
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   112.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrBi2
_chemical_formula_sum   'Zr2 Bi4'
_cell_volume   209.53
_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  0.29  0.06  0.79  1.0
  Bi  Bi1  2  0.46  0.94  0.39  1.0
  Bi  Bi2  2  0.46  0.94  0.53  1.0

Zr Zr Bi Bi Bi Bi
Zr Zr Bi Bi Bi Bi 0 4 + o o 0 3 + o o 1 2 o o o 1 5 o o o 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 