data_ZrCdSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   4.06
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdSi2
_chemical_formula_sum   'Zr1 Cd1 Si2'
_cell_volume   76.49
_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  0.61  0.0  0.93  1.0
  Si  Si1  1  0.61  0.03  0.69  1.0
  Si  Si2  1  0.61  0.03  0.18  1.0

data_ZrCdSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.06
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdSi2
_chemical_formula_sum   'Zr1 Cd1 Si2'
_cell_volume   76.49
_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  0.61  0.0  0.93  1.0
  Si  Si2  1  0.61  0.03  0.18  1.0
  Si  Si3  1  0.61  0.03  0.69  1.0

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