data_[K8Sn4Se12]
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 [14.3981]
_cell_length_b [7.1623]
_cell_length_c [10.1503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2SnSe3]
_chemical_formula_sum '[K8 Sn4 Se12]'
_cell_volume [855.6586]
_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
[
  K  K0  4  0.0906  0.0000  0.3846  1
  K  K1  4  0.1774  0.5000  0.8159  1
  Sn  Sn2  4  0.1289  0.5000  0.1942  1
  Se  Se3  4  0.0000  0.2285  0.0000  1
  Se  Se4  4  0.1213  0.5000  0.4341  1
  Se  Se5  4  0.1865  0.0000  0.7779  1
]