data_ZrCd2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.61
_cell_angle_alpha   111.3
_cell_angle_beta   111.3
_cell_angle_gamma   33.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Si
_chemical_formula_sum   'Zr1 Cd2 Si1'
_cell_volume   81.52
_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  0.96  0.0  0.4  1.0
  Cd  Cd0  1  0.97  0.0  0.25  1.0
  Cd  Cd1  1  0.48  0.0  0.02  1.0
  Si  Si2  1  0.72  0.0  0.11  1.0

data_ZrCd2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.33
_cell_length_c   5.61
_cell_angle_alpha   111.3
_cell_angle_beta   90.0
_cell_angle_gamma   106.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Si
_chemical_formula_sum   'Zr1 Cd2 Si1'
_cell_volume   81.52
_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  0.04  0.6  1.0
  Cd  Cd1  1  0.0  0.03  0.75  1.0
  Cd  Cd2  1  0.0  0.52  0.98  1.0
  Si  Si3  1  0.0  0.28  0.89  1.0

Zr Cd Cd Si