data_[K10Sn4Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6946]
_cell_length_b [4.8254]
_cell_length_c [12.6066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K5Sn2Se5]
_chemical_formula_sum '[K10 Sn4 Se10]'
_cell_volume [843.8655]
_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  0.1590  0.5000  0.0555  1.0
  K  K1  4  0.2477  0.5000  0.3604  1.0
  K  K2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  4  0.0509  0.0000  0.7982  1.0
  Se  Se4  4  0.1021  0.0000  0.3833  1.0
  Se  Se5  4  0.1525  0.5000  0.7865  1.0
  Se  Se6  2  0.0000  0.0000  0.0000  1.0
]