data_Mg2ScCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   147.12
_cell_angle_beta   129.66
_cell_angle_gamma   61.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ScCd
_chemical_formula_sum   'Mg2 Sc1 Cd1'
_cell_volume   90.14
_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  0.7  0.0  0.74  1.0
  Mg  Mg2  1  0.0  0.56  0.44  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.17  1.0

data_Mg2ScCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.12
_cell_length_c   6.02
_cell_angle_alpha   115.17
_cell_angle_beta   106.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ScCd
_chemical_formula_sum   'Mg2 Sc1 Cd1'
_cell_volume   90.14
_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  0.56  0.12  0.12  1.0
  Mg  Mg1  1  0.97  0.26  0.97  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.83  0.83  0.83  1.0

Mg Mg Sc Cd