data_[V2Si2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.0813]
_cell_length_b [3.4097]
_cell_length_c [18.3464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VSiSe4]
_chemical_formula_sum '[V2 Si2 Se8]'
_cell_volume [755.7626]
_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
[
  V  V0  2  0.1068  0.7500  0.0029  1
  Si  Si1  2  0.3735  0.2500  0.9988  1
  Se  Se2  2  0.0380  0.2500  0.0912  1
  Se  Se3  2  0.2063  0.2500  0.9229  1
  Se  Se4  2  0.2863  0.7500  0.0779  1
  Se  Se5  2  0.4598  0.7500  0.9209  1
]