data_MgCd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   3.37
_cell_angle_alpha   100.14
_cell_angle_beta   100.14
_cell_angle_gamma   118.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Pb
_chemical_formula_sum   'Mg1 Cd2 Pb1'
_cell_volume   101.7
_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  Mg2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.96  0.39  0.58  1.0
  Cd  Cd1  1  0.96  0.61  0.58  1.0
  Pb  Pb3  1  0.09  0.0  0.0  1.0

data_MgCd2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.93
_cell_length_c   6.06
_cell_angle_alpha   115.54
_cell_angle_beta   100.14
_cell_angle_gamma   102.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Pb
_chemical_formula_sum   'Mg1 Cd2 Pb1'
_cell_volume   101.7
_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
  Cd  Cd1  1  0.19  0.61  0.57  1.0
  Cd  Cd2  1  0.97  0.39  0.36  1.0
  Pb  Pb3  1  0.0  0.0  0.09  1.0

Mg Cd Cd Pb
Mg Cd Cd Pb 0 3 o o o 1 2 o o o 