data_MgCd2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   145.23
_cell_angle_beta   133.64
_cell_angle_gamma   59.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Sb
_chemical_formula_sum   'Mg1 Cd2 Sb1'
_cell_volume   96.56
_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  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.85  0.0  0.65  1.0
  Cd  Cd1  1  0.0  0.43  0.72  1.0
  Sb  Sb3  1  0.0  0.0  0.37  1.0

data_MgCd2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.87
_cell_length_c   6.18
_cell_angle_alpha   113.18
_cell_angle_beta   107.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Sb
_chemical_formula_sum   'Mg1 Cd2 Sb1'
_cell_volume   96.56
_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  0.19  0.35  0.19  1.0
  Cd  Cd2  1  0.28  0.71  0.71  1.0
  Sb  Sb3  1  0.63  0.63  0.63  1.0

Mg Cd Cd Sb