data_MgCd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.55
_cell_angle_alpha   100.95
_cell_angle_beta   100.95
_cell_angle_gamma   33.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Pb
_chemical_formula_sum   'Mg1 Cd2 Pb1'
_cell_volume   98.73
_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  0.99  0.0  0.17  1.0
  Cd  Cd1  1  0.87  0.0  0.27  1.0
  Pb  Pb3  1  0.93  0.0  0.72  1.0

data_MgCd2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.55
_cell_length_c   5.73
_cell_angle_alpha   100.95
_cell_angle_beta   106.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Pb
_chemical_formula_sum   'Mg1 Cd2 Pb1'
_cell_volume   98.73
_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  0.17  0.99  1.0
  Cd  Cd2  1  0.0  0.27  0.87  1.0
  Pb  Pb3  1  0.0  0.72  0.93  1.0

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