data_ZnCdMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   142.23
_cell_angle_beta   126.78
_cell_angle_gamma   67.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCdMo2
_chemical_formula_sum   'Zn1 Cd1 Mo2'
_cell_volume   67.34
_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  0.0  0.0  0.28  1.0
  Cd  Cd0  1  0.0  0.32  0.13  1.0
  Mo  Mo1  1  0.0  0.0  0.18  1.0
  Mo  Mo2  1  0.68  0.0  0.04  1.0

data_ZnCdMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.64
_cell_length_c   5.18
_cell_angle_alpha   116.61
_cell_angle_beta   108.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCdMo2
_chemical_formula_sum   'Zn1 Cd1 Mo2'
_cell_volume   67.34
_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  0.28  0.28  1.0
  Cd  Cd1  1  0.68  0.81  0.81  1.0
  Mo  Mo2  1  0.0  0.04  0.36  1.0
  Mo  Mo3  1  0.0  0.18  0.18  1.0

Zn Cd Mo Mo
Zn Cd Mo Mo 0 2 o o o 0 3 - o o 1 2 o o o 2 3 - o o 