data_CaPb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   6.61
_cell_angle_alpha   110.62
_cell_angle_beta   110.62
_cell_angle_gamma   36.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPb2Cl
_chemical_formula_sum   'Ca1 Pb2 Cl1'
_cell_volume   125.07
_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
  Ca  Ca0  1  0.49  0.0  0.43  1.0
  Pb  Pb2  1  0.04  0.0  0.05  1.0
  Pb  Pb3  1  0.84  0.0  0.56  1.0
  Cl  Cl1  1  0.75  0.0  0.17  1.0

data_CaPb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.85
_cell_length_c   6.61
_cell_angle_alpha   110.62
_cell_angle_beta   90.0
_cell_angle_gamma   108.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPb2Cl
_chemical_formula_sum   'Ca1 Pb2 Cl1'
_cell_volume   125.07
_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
  Ca  Ca0  1  0.0  0.51  0.57  1.0
  Pb  Pb1  1  0.0  0.16  0.44  1.0
  Pb  Pb2  1  0.0  0.96  0.95  1.0
  Cl  Cl3  1  0.0  0.25  0.83  1.0

Ca Pb Pb Cl