data_MgCdMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09
_cell_length_b   10.09
_cell_length_c   10.09
_cell_angle_alpha   16.3
_cell_angle_beta   16.3
_cell_angle_gamma   16.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdMo2
_chemical_formula_sum   'Mg1 Cd1 Mo2'
_cell_volume   70.48
_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  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.92  1.0
  Mo  Mo2  1  0.0  0.0  0.49  1.0
  Mo  Mo3  1  0.0  0.0  0.35  1.0

data_MgCdMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   2.86
_cell_length_c   10.09
_cell_angle_alpha   90.0
_cell_angle_beta   99.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgCdMo2
_chemical_formula_sum   'Mg2 Cd2 Mo4'
_cell_volume   140.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.08  1.0
  Mo  Mo2  2  0.0  0.0  0.51  1.0
  Mo  Mo3  2  0.0  0.0  0.65  1.0

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