data_[Ca1Sn2Pb1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4799]
_cell_length_b [6.7748]
_cell_length_c [8.7754]
_cell_angle_alpha [89.6287]
_cell_angle_beta [89.8522]
_cell_angle_gamma [89.4152]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CaSn2PbCl8]
_chemical_formula_sum '[Ca1 Sn2 Pb1 Cl8]'
_cell_volume [385.2132]
_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  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  2  0.4970  0.4907  0.7550  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.2046  0.8136  0.7620  1.0
  Cl  Cl4  2  0.2411  0.8554  0.2388  1.0
  Cl  Cl5  2  0.2663  0.3209  0.9737  1.0
  Cl  Cl6  2  0.2749  0.3355  0.5276  1.0
]