data_ZrBi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   121.47
_cell_angle_beta   121.47
_cell_angle_gamma   87.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Cl
_chemical_formula_sum   'Zr1 Bi2 Cl1'
_cell_volume   103.97
_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  0.6  0.0  0.92  1.0
  Bi  Bi0  1  0.0  0.0  0.84  1.0
  Bi  Bi1  1  0.0  0.6  0.92  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_ZrBi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.32
_cell_angle_alpha   119.27
_cell_angle_beta   119.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Cl
_chemical_formula_sum   'Zr1 Bi2 Cl1'
_cell_volume   103.97
_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  0.08  0.0  0.68  1.0
  Bi  Bi1  1  0.16  0.0  0.16  1.0
  Bi  Bi2  1  0.68  0.6  0.68  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zr Bi Bi Cl