data_MgCd2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.25
_cell_angle_alpha   101.78
_cell_angle_beta   101.78
_cell_angle_gamma   32.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Mo
_chemical_formula_sum   'Mg1 Cd2 Mo1'
_cell_volume   76.34
_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
  Mg  Mg2  1  0.5  0.0  0.64  1.0
  Cd  Cd0  1  0.02  0.0  0.05  1.0
  Cd  Cd1  1  0.31  0.0  0.3  1.0
  Mo  Mo3  1  0.68  0.0  0.84  1.0

data_MgCd2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.25
_cell_length_c   5.27
_cell_angle_alpha   101.78
_cell_angle_beta   106.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Mo
_chemical_formula_sum   'Mg1 Cd2 Mo1'
_cell_volume   76.34
_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
  Mg  Mg0  1  0.0  0.64  0.5  1.0
  Cd  Cd1  1  0.0  0.05  0.02  1.0
  Cd  Cd2  1  0.0  0.3  0.31  1.0
  Mo  Mo3  1  0.0  0.84  0.68  1.0

Mg Cd Cd Mo