data_[K2W4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8131]
_cell_length_b [3.4707]
_cell_length_c [5.9847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(WSe2)2]
_chemical_formula_sum '[K2 W4 Se8]'
_cell_volume [340.4920]
_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  2  0.0000  0.5000  0.5000  1
  W  W1  4  0.2455  0.0000  0.1822  1
  Se  Se2  4  0.1362  0.5000  0.0169  1
  Se  Se3  4  0.1675  0.0000  0.5297  1
]