data_Mg2CdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   133.77
_cell_angle_beta   133.77
_cell_angle_gamma   67.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdPb
_chemical_formula_sum   'Mg2 Cd1 Pb1'
_cell_volume   97.13
_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  0.25  0.39  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.78  1.0
  Pb  Pb3  1  0.25  0.0  0.39  1.0

data_Mg2CdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   5.74
_cell_angle_alpha   113.11
_cell_angle_beta   113.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdPb
_chemical_formula_sum   'Mg2 Cd1 Pb1'
_cell_volume   97.13
_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
  Mg  Mg1  1  0.87  0.25  0.87  1.0
  Cd  Cd2  1  0.22  0.0  0.22  1.0
  Pb  Pb3  1  0.61  0.0  0.87  1.0

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