data_[K8V4Se12]
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/c]
_cell_length_a [12.1658]
_cell_length_b [8.7390]
_cell_length_c [6.8615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2VSe3]
_chemical_formula_sum '[K8 V4 Se12]'
_cell_volume [727.4229]
_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  8  0.1613  0.3297  0.2178  1.0
  V  V1  4  0.0000  0.0922  0.7500  1.0
  Se  Se2  8  0.1340  0.0154  0.5013  1.0
  Se  Se3  4  0.0000  0.3549  0.7500  1.0
]