data_ZnCr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   5.12
_cell_angle_alpha   94.2
_cell_angle_beta   94.2
_cell_angle_gamma   33.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Cd
_chemical_formula_sum   'Zn1 Cr2 Cd1'
_cell_volume   57.87
_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
  Zn  Zn3  1  0.17  0.0  0.61  1.0
  Cr  Cr1  1  0.66  0.0  0.88  1.0
  Cr  Cr2  1  0.81  0.0  0.95  1.0
  Cd  Cd0  1  0.45  0.0  0.33  1.0

data_ZnCr2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.55
_cell_length_c   5.12
_cell_angle_alpha   94.2
_cell_angle_beta   90.0
_cell_angle_gamma   106.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Cd
_chemical_formula_sum   'Zn1 Cr2 Cd1'
_cell_volume   57.87
_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
  Zn  Zn0  1  0.0  0.83  0.39  1.0
  Cr  Cr1  1  0.0  0.19  0.05  1.0
  Cr  Cr2  1  0.0  0.34  0.12  1.0
  Cd  Cd3  1  0.0  0.55  0.67  1.0

Zn Cr Cr Cd
Zn Cr Cr Cd 0 0 + - o 0 2 - o o 0 3 o o o 0 1 o o o 1 2 o o o 