data_MgCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48
_cell_length_b   8.48
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2
_chemical_formula_sum   'Mg3 Cd6'
_cell_volume   200.66
_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  Mg6  1  0.0  0.0  0.0  1.0
  Mg  Mg7  1  0.24  0.45  0.61  1.0
  Mg  Mg8  1  0.0  0.9  0.61  1.0
  Cd  Cd0  1  0.03  0.14  0.61  1.0
  Cd  Cd1  1  0.27  0.2  0.61  1.0
  Cd  Cd2  1  0.94  0.0  0.61  1.0
  Cd  Cd3  1  0.44  0.71  0.0  1.0
  Cd  Cd4  1  0.68  0.64  0.0  1.0
  Cd  Cd5  1  0.13  0.0  0.0  1.0

data_MgCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   8.48
_cell_length_c   8.48
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2
_chemical_formula_sum   'Mg3 Cd6'
_cell_volume   200.66
_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  0.0  0.0  1.0
  Mg  Mg1  1  0.61  0.0  0.9  1.0
  Mg  Mg2  1  0.61  0.24  0.45  1.0
  Cd  Cd3  1  0.0  0.13  0.0  1.0
  Cd  Cd4  1  0.0  0.44  0.71  1.0
  Cd  Cd5  1  0.0  0.68  0.64  1.0
  Cd  Cd6  1  0.61  0.03  0.14  1.0
  Cd  Cd7  1  0.61  0.27  0.2  1.0
  Cd  Cd8  1  0.61  0.94  0.0  1.0

Mg Mg Mg Cd Cd Cd Cd Cd Cd