data_Mg2CdSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   133.61
_cell_angle_beta   133.61
_cell_angle_gamma   67.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdSi
_chemical_formula_sum   'Mg2 Cd1 Si1'
_cell_volume   79.1
_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  0.0  0.0  1.0
  Mg  Mg2  1  0.11  0.0  0.22  1.0
  Cd  Cd0  1  0.0  0.11  0.22  1.0
  Si  Si3  1  0.0  0.0  0.45  1.0

data_Mg2CdSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   5.35
_cell_angle_alpha   113.19
_cell_angle_beta   113.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdSi
_chemical_formula_sum   'Mg2 Cd1 Si1'
_cell_volume   79.1
_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  0.78  0.0  0.89  1.0
  Cd  Cd2  1  0.89  0.11  0.89  1.0
  Si  Si3  1  0.55  0.0  0.55  1.0

Mg Mg Cd Si