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 [P2_1/m]
_cell_length_a [4.3079]
_cell_length_b [3.8894]
_cell_length_c [9.7329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SnAsCl]
_chemical_formula_sum '[Sn2 As2 Cl2]'
_cell_volume [162.9133]
_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  2  0.4135  0.2500  0.2549  1.0
  As  As1  2  0.1903  0.7500  0.4986  1.0
  Cl  Cl2  2  0.2345  0.2500  0.8612  1.0
]