data_[K2V10Se16]
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 [18.6066]
_cell_length_b [3.6955]
_cell_length_c [8.9617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KV5Se8]
_chemical_formula_sum '[K2 V10 Se16]'
_cell_volume [597.4579]
_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  0.0000  1.0
  V  V1  4  0.1506  0.5000  0.4905  1.0
  V  V2  4  0.2121  0.5000  0.8486  1.0
  V  V3  2  0.0000  0.0000  0.5000  1.0
  Se  Se4  4  0.0718  0.5000  0.6731  1.0
  Se  Se5  4  0.0871  0.0000  0.3206  1.0
  Se  Se6  4  0.1619  0.0000  0.9890  1.0
  Se  Se7  4  0.2396  0.0000  0.6566  1.0
]