data_[Na4Ca4Sn4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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/c]
_cell_length_a [9.5043]
_cell_length_b [12.9890]
_cell_length_c [9.3063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCaSnCl5]
_chemical_formula_sum '[Na4 Ca4 Sn4 Cl20]'
_cell_volume [1078.8387]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.0000  0.0019  0.7500  1.0
  Ca  Ca1  4  0.2500  0.2500  0.0000  1.0
  Sn  Sn2  4  0.0000  0.4839  0.7500  1.0
  Cl  Cl3  8  0.0366  0.3649  0.0731  1.0
  Cl  Cl4  8  0.1856  0.0612  0.1013  1.0
  Cl  Cl5  4  0.0000  0.2109  0.7500  1.0
]