data_MgCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   133.98
_cell_angle_beta   131.18
_cell_angle_gamma   69.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd3
_chemical_formula_sum   'Mg1 Cd3'
_cell_volume   87.94
_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  Mg3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.27  0.28  1.0
  Cd  Cd1  1  0.15  0.0  0.24  1.0
  Cd  Cd2  1  0.0  0.0  0.52  1.0

data_MgCd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.54
_cell_length_c   5.49
_cell_angle_alpha   114.41
_cell_angle_beta   113.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd3
_chemical_formula_sum   'Mg1 Cd3'
_cell_volume   87.94
_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  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.24  0.09  1.0
  Cd  Cd2  1  0.0  0.52  0.52  1.0
  Cd  Cd3  1  0.73  0.01  0.01  1.0

Mg Cd Cd Cd