data_[V4Fe2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1059]
_cell_length_b [3.3571]
_cell_length_c [6.1768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2FeSe4]
_chemical_formula_sum '[V4 Fe2 Se8]'
_cell_volume [244.0355]
_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  4  0.2438  0.5000  0.6823  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  Se  Se2  4  0.1039  0.0000  0.4427  1.0
  Se  Se3  4  0.1393  0.5000  0.9767  1.0
]