data_Cr2CdMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CdMo
_chemical_formula_sum   'Cr2 Cd1 Mo1'
_cell_volume   59.15
_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  0.0  0.0  0.51  1.0
  Cr  Cr2  1  0.53  0.0  0.74  1.0
  Cd  Cd0  1  0.53  0.0  0.1  1.0
  Mo  Mo3  1  0.0  0.0  0.67  1.0

data_Cr2CdMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CdMo
_chemical_formula_sum   'Cr2 Cd1 Mo1'
_cell_volume   59.15
_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  0.0  0.51  1.0
  Cr  Cr1  1  0.53  0.0  0.74  1.0
  Cd  Cd2  1  0.53  0.0  0.1  1.0
  Mo  Mo3  1  0.0  0.0  0.67  1.0

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