data_MgPb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.64
_cell_angle_alpha   95.09
_cell_angle_beta   95.09
_cell_angle_gamma   34.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPb2Cl
_chemical_formula_sum   'Mg1 Pb2 Cl1'
_cell_volume   113.08
_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
  Pb  Pb2  1  0.65  0.0  0.25  1.0
  Pb  Pb3  1  0.14  0.0  0.36  1.0
  Cl  Cl0  1  0.39  0.0  0.81  1.0

data_MgPb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.64
_cell_length_c   5.93
_cell_angle_alpha   95.09
_cell_angle_beta   107.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPb2Cl
_chemical_formula_sum   'Mg1 Pb2 Cl1'
_cell_volume   113.08
_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
  Pb  Pb1  1  0.0  0.25  0.65  1.0
  Pb  Pb2  1  0.0  0.36  0.14  1.0
  Cl  Cl3  1  0.0  0.81  0.39  1.0

Mg Pb Pb Cl
Mg Pb Pb Cl 0 2 o o o 0 1 - o o 0 3 o o - 1 3 o o - 1 2 o o o 1 2 + o o 2 3 o o o 