data_Mg2Cr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   7.17
_cell_angle_alpha   147.31
_cell_angle_beta   147.31
_cell_angle_gamma   46.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Cr2Cd
_chemical_formula_sum   'Mg2 Cr2 Cd1'
_cell_volume   107.22
_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  Mg3  1  0.0  0.02  0.29  1.0
  Mg  Mg4  1  0.02  0.0  0.29  1.0
  Cr  Cr1  1  0.0  0.0  0.89  1.0
  Cr  Cr2  1  0.0  0.0  0.27  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_Mg2Cr2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   113.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2Cr2Cd
_chemical_formula_sum   'Mg4 Cr4 Cd2'
_cell_volume   214.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.01  0.01  0.73  1.0
  Cr  Cr1  2  0.0  0.0  0.11  1.0
  Cr  Cr2  2  0.0  0.0  0.73  1.0
  Cd  Cd3  2  0.0  0.0  0.0  1.0

Mg Mg Cr Cr Cd