data_[K4Ca2Sn4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3881]
_cell_length_b [4.0976]
_cell_length_c [10.5820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ca(SnS2)2]
_chemical_formula_sum '[K4 Ca2 Sn4 S8]'
_cell_volume [576.2290]
_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
[
  K  K0  4  0.1225  0.0000  0.7945  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.2102  0.5000  0.3453  1.0
  S  S3  4  0.0235  0.5000  0.2065  1.0
  S  S4  4  0.2152  0.0000  0.1814  1.0
]