data_MgCdMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   4.45
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   101.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdMo2
_chemical_formula_sum   'Mg1 Cd1 Mo2'
_cell_volume   70.41
_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
  Mg  Mg1  1  0.81  0.0  0.29  1.0
  Cd  Cd0  1  0.76  0.23  0.86  1.0
  Mo  Mo2  1  0.69  0.23  0.1  1.0
  Mo  Mo3  1  0.99  0.0  0.25  1.0

data_MgCdMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.45
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   101.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdMo2
_chemical_formula_sum   'Mg1 Cd1 Mo2'
_cell_volume   70.41
_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
  Mg  Mg0  1  0.81  0.0  0.29  1.0
  Cd  Cd1  1  0.76  0.23  0.86  1.0
  Mo  Mo2  1  0.69  0.23  0.1  1.0
  Mo  Mo3  1  0.99  0.0  0.25  1.0

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