data_ZrCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.74
_cell_angle_alpha   101.93
_cell_angle_beta   101.93
_cell_angle_gamma   31.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd3
_chemical_formula_sum   'Zr1 Cd3'
_cell_volume   88.15
_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  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.67  0.0  0.21  1.0
  Cd  Cd1  1  0.62  0.0  0.4  1.0
  Cd  Cd2  1  0.65  0.0  0.8  1.0

data_ZrCd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.47
_cell_length_c   5.74
_cell_angle_alpha   101.93
_cell_angle_beta   90.0
_cell_angle_gamma   105.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd3
_chemical_formula_sum   'Zr1 Cd3'
_cell_volume   88.15
_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  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.33  0.79  1.0
  Cd  Cd2  1  0.0  0.35  0.2  1.0
  Cd  Cd3  1  0.0  0.38  0.6  1.0

Zr Cd Cd Cd