data_Mg2CdSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   136.62
_cell_angle_beta   136.62
_cell_angle_gamma   63.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdSb
_chemical_formula_sum   'Mg2 Cd1 Sb1'
_cell_volume   93.18
_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  0.16  0.49  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.99  1.0
  Sb  Sb3  1  0.16  0.0  0.49  1.0

data_Mg2CdSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.85
_cell_angle_alpha   111.69
_cell_angle_beta   111.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdSb
_chemical_formula_sum   'Mg2 Cd1 Sb1'
_cell_volume   93.18
_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
  Mg  Mg1  1  0.67  0.16  0.67  1.0
  Cd  Cd2  1  0.01  0.0  0.01  1.0
  Sb  Sb3  1  0.51  0.0  0.67  1.0

Mg Mg Cd Sb