data_MnCdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   5.45
_cell_angle_alpha   109.23
_cell_angle_beta   109.23
_cell_angle_gamma   30.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdPb2
_chemical_formula_sum   'Mn1 Cd1 Pb2'
_cell_volume   99.28
_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
  Mn  Mn1  1  0.38  0.0  0.98  1.0
  Cd  Cd0  1  0.41  0.0  0.54  1.0
  Pb  Pb2  1  0.76  0.0  0.83  1.0
  Pb  Pb3  1  0.5  0.0  0.44  1.0

data_MnCdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.45
_cell_length_c   6.16
_cell_angle_alpha   109.23
_cell_angle_beta   105.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdPb2
_chemical_formula_sum   'Mn1 Cd1 Pb2'
_cell_volume   99.28
_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
  Mn  Mn0  1  0.0  0.98  0.38  1.0
  Cd  Cd1  1  0.0  0.54  0.41  1.0
  Pb  Pb2  1  0.0  0.44  0.5  1.0
  Pb  Pb3  1  0.0  0.83  0.76  1.0

Mn Cd Pb Pb
Mn Cd Pb Pb 0 2 o o o 0 1 o o o 0 3 o o + 1 3 o o o 1 2 o o o 2 3 o o o 