data_Mg2CrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   134.73
_cell_angle_beta   131.17
_cell_angle_gamma   68.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrCd
_chemical_formula_sum   'Mg2 Cr1 Cd1'
_cell_volume   79.84
_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  0.05  0.0  0.03  1.0
  Mg  Mg3  1  0.0  0.0  0.58  1.0
  Cr  Cr1  1  0.0  0.0  0.23  1.0
  Cd  Cd0  1  0.05  0.0  0.37  1.0

data_Mg2CrCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.41
_cell_length_c   5.34
_cell_angle_alpha   114.42
_cell_angle_beta   112.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrCd
_chemical_formula_sum   'Mg2 Cr1 Cd1'
_cell_volume   79.84
_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  0.02  0.97  0.02  1.0
  Mg  Mg1  1  0.42  0.42  0.42  1.0
  Cr  Cr2  1  0.77  0.77  0.77  1.0
  Cd  Cd3  1  0.69  0.63  0.69  1.0

Mg Mg Cr Cd