data_MgCdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   3.44
_cell_angle_alpha   102.04
_cell_angle_beta   102.04
_cell_angle_gamma   113.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdPb2
_chemical_formula_sum   'Mg1 Cd1 Pb2'
_cell_volume   111.56
_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
  Cd  Cd0  1  0.39  0.0  0.0  1.0
  Pb  Pb2  1  0.04  0.41  0.59  1.0
  Pb  Pb3  1  0.04  0.59  0.59  1.0

data_MgCdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   113.6
_cell_angle_beta   102.04
_cell_angle_gamma   102.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdPb2
_chemical_formula_sum   'Mg1 Cd1 Pb2'
_cell_volume   111.56
_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  0.0  0.39  0.0  1.0
  Pb  Pb2  1  0.59  0.04  0.41  1.0
  Pb  Pb3  1  0.59  0.04  0.59  1.0

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