data_[Sr1Ca1Pb2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5739]
_cell_length_b [8.8053]
_cell_length_c [6.7582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrCa(PbCl4)2]
_chemical_formula_sum '[Sr1 Ca1 Pb2 Cl8]'
_cell_volume [391.1920]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.5000  0.2445  0.5000  1.0
  Cl  Cl3  4  0.2205  0.2389  0.1614  1.0
  Cl  Cl4  2  0.2628  0.0000  0.6778  1.0
  Cl  Cl5  2  0.2732  0.5000  0.6634  1.0
]