data_Zr2CdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   5.03
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdCl
_chemical_formula_sum   'Zr2 Cd1 Cl1'
_cell_volume   89.48
_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  Zr2  1  0.0  0.52  0.77  1.0
  Zr  Zr3  1  0.61  0.52  0.0  1.0
  Cd  Cd0  1  0.61  0.0  0.77  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Zr2CdCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.03
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdCl
_chemical_formula_sum   'Zr2 Cd1 Cl1'
_cell_volume   89.48
_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  0.52  0.77  1.0
  Zr  Zr1  1  0.61  0.52  0.0  1.0
  Cd  Cd2  1  0.61  0.0  0.77  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zr Zr Cd Cl
Zr Zr Cd Cl 0 1 - o + 2 3 + o + 