data_[Sn2As2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.8109]
_cell_length_b [4.0955]
_cell_length_c [7.0156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SnAsCl]
_chemical_formula_sum '[Sn2 As2 Cl2]'
_cell_volume [195.5210]
_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  1  0.0086  0.0000  0.4671  1.0
  Sn  Sn1  1  0.5060  0.5000  0.4087  1.0
  As  As2  1  0.3777  0.0000  0.6160  1.0
  As  As3  1  0.8624  0.5000  0.2599  1.0
  Cl  Cl4  1  0.3154  0.5000  0.1085  1.0
  Cl  Cl5  1  0.8433  0.0000  0.7671  1.0
]