data_[Sn8Se4Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3077]
_cell_length_b [8.0844]
_cell_length_c [23.3676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sn4Se2Cl5]
_chemical_formula_sum '[Sn8 Se4 Cl10]'
_cell_volume [624.8767]
_cell_formula_units_Z [2]
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  4  0.0000  0.1971  0.5000  1
  Sn  Sn1  4  0.0000  0.5000  0.2504  1
  Se  Se2  4  0.0000  0.5000  0.3685  1
  Cl  Cl3  8  0.0000  0.2000  0.6219  1
  Cl  Cl4  2  0.0000  0.0000  0.0000  1
]