data_YPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   3.77
_cell_angle_alpha   107.78
_cell_angle_beta   107.78
_cell_angle_gamma   111.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPbCl2
_chemical_formula_sum   'Y1 Pb1 Cl2'
_cell_volume   104.79
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.36  0.0  0.0  1.0
  Cl  Cl0  1  0.68  0.54  0.0  1.0
  Cl  Cl1  1  0.68  0.46  0.0  1.0

data_YPbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   5.65
_cell_length_c   5.95
_cell_angle_alpha   117.83
_cell_angle_beta   107.78
_cell_angle_gamma   91.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPbCl2
_chemical_formula_sum   'Y1 Pb1 Cl2'
_cell_volume   104.79
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.36  1.0
  Cl  Cl2  1  0.46  0.46  0.14  1.0
  Cl  Cl3  1  0.54  0.54  0.22  1.0

Y Pb Cl Cl
Y Pb Cl Cl 0 1 o o o 2 3 o o o 