data_[K4V6Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7885]
_cell_length_b [4.2447]
_cell_length_c [8.5318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2V3Se5]
_chemical_formula_sum '[K4 V6 Se10]'
_cell_volume [503.4944]
_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  0.1765  0.5000  0.2139  1
  V  V1  4  0.0500  0.0000  0.7610  1
  V  V2  2  0.0000  0.5000  0.5000  1
  Se  Se3  4  0.1024  0.0000  0.4656  1
  Se  Se4  4  0.1354  0.5000  0.7942  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
]