data_[Ca2Sn4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2382]
_cell_length_b [5.5098]
_cell_length_c [9.3543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(SnCl3)2]
_chemical_formula_sum '[Ca2 Sn4 Cl12]'
_cell_volume [587.6698]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  4  0.2069  0.0000  0.1707  1.0
  Cl  Cl2  4  0.0332  0.0000  0.2258  1.0
  Cl  Cl3  4  0.1312  0.5000  0.5237  1.0
  Cl  Cl4  4  0.2338  0.0000  0.7831  1.0
]