data_ZrZnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.38
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnCd2
_chemical_formula_sum   'Zr1 Zn1 Cd2'
_cell_volume   81.48
_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  Zr3  1  0.0  0.0  0.11  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.5  0.19  0.72  1.0
  Cd  Cd1  1  0.5  0.19  0.5  1.0

data_ZrZnCd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.38
_cell_length_b   2.99
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrZnCd2
_chemical_formula_sum   'Zr1 Zn1 Cd2'
_cell_volume   81.48
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.11  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.19  0.5  0.5  1.0
  Cd  Cd3  1  0.19  0.5  0.72  1.0

Zr Zn Cd Cd
Zr Zn Cd Cd 0 1 o o o 2 3 o o o 