data_Cr2CdMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   4.44
_cell_angle_alpha   114.52
_cell_angle_beta   114.52
_cell_angle_gamma   33.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CdMo
_chemical_formula_sum   'Cr2 Cd1 Mo1'
_cell_volume   58.95
_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
  Cr  Cr1  1  0.73  0.0  0.91  1.0
  Cr  Cr2  1  0.22  0.0  0.07  1.0
  Cd  Cd0  1  0.85  0.0  0.93  1.0
  Mo  Mo3  1  0.12  0.0  0.08  1.0

data_Cr2CdMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.44
_cell_length_c   5.17
_cell_angle_alpha   114.52
_cell_angle_beta   106.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CdMo
_chemical_formula_sum   'Cr2 Cd1 Mo1'
_cell_volume   58.95
_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
  Cr  Cr0  1  0.0  0.07  0.22  1.0
  Cr  Cr1  1  0.0  0.91  0.73  1.0
  Cd  Cd2  1  0.0  0.93  0.85  1.0
  Mo  Mo3  1  0.0  0.08  0.12  1.0

Cr Cr Cd Mo
Cr Cr Cd Mo 0 2 o o o 1 3 o o o 