data_Pb2SeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   143.53
_cell_angle_beta   143.53
_cell_angle_gamma   52.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb2SeCl
_chemical_formula_sum   'Pb2 Se1 Cl1'
_cell_volume   115.94
_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
  Pb  Pb1  1  0.16  0.0  0.1  1.0
  Pb  Pb2  1  0.0  0.0  0.2  1.0
  Se  Se3  1  0.0  0.16  0.1  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Pb2SeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   6.91
_cell_angle_alpha   108.23
_cell_angle_beta   108.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb2SeCl
_chemical_formula_sum   'Pb2 Se1 Cl1'
_cell_volume   115.94
_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
  Pb  Pb0  1  0.8  0.0  0.8  1.0
  Pb  Pb1  1  0.9  0.0  0.06  1.0
  Se  Se2  1  0.06  0.16  0.06  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Pb Pb Se Cl
Pb Pb Se Cl 0 3 o o o 1 3 o o o 2 3 o o o 