data_[Sn5Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8020]
_cell_length_b [15.0000]
_cell_length_c [14.1751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sn5Cl4]
_chemical_formula_sum '[Sn5 Cl4]'
_cell_volume [1232.1408]
_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
[
  Sn  Sn0  1  0.0179  0.5000  0.3361  1
  Sn  Sn1  1  0.1721  0.5000  0.5339  1
  Sn  Sn2  1  0.5474  0.5000  0.9808  1
  Sn  Sn3  1  0.7035  0.5000  0.7903  1
  Sn  Sn4  1  0.7808  0.5000  0.1588  1
  Cl  Cl5  1  0.1198  0.5000  0.0187  1
  Cl  Cl6  1  0.2704  0.5000  0.7397  1
  Cl  Cl7  1  0.4475  0.5000  0.2905  1
  Cl  Cl8  1  0.7501  0.5000  0.5797  1
]