data_MgCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   7.31
_cell_angle_alpha   104.12
_cell_angle_beta   104.12
_cell_angle_gamma   30.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd
_chemical_formula_sum   'Mg3 Cd3'
_cell_volume   132.49
_cell_formula_units_Z   3
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  0.0  0.03  1.0
  Mg  Mg1  1  0.52  0.0  0.31  1.0
  Mg  Mg2  1  0.65  0.0  0.71  1.0
  Cd  Cd3  1  0.05  0.0  0.98  1.0
  Cd  Cd4  1  0.18  0.0  0.37  1.0
  Cd  Cd5  1  0.7  0.0  0.65  1.0

data_MgCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   6.07
_cell_length_c   7.31
_cell_angle_alpha   104.12
_cell_angle_beta   90.0
_cell_angle_gamma   105.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd
_chemical_formula_sum   'Mg3 Cd3'
_cell_volume   132.49
_cell_formula_units_Z   3
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  0.35  0.29  1.0
  Mg  Mg1  1  0.0  0.48  0.69  1.0
  Mg  Mg2  1  0.0  0.98  0.97  1.0
  Cd  Cd3  1  0.0  0.3  0.35  1.0
  Cd  Cd4  1  0.0  0.82  0.63  1.0
  Cd  Cd5  1  0.0  0.95  0.02  1.0

Mg Mg Mg Cd Cd Cd