data_[V2Ni4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0758]
_cell_length_b [3.4986]
_cell_length_c [10.0197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VNi2Se3]
_chemical_formula_sum '[V2 Ni4 Se6]'
_cell_volume [235.8724]
_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  0.2174  0.2500  0.7044  1.0
  Ni  Ni1  2  0.0589  0.2500  0.4369  1.0
  Ni  Ni2  2  0.4017  0.7500  0.9118  1.0
  Se  Se3  2  0.0519  0.7500  0.8116  1.0
  Se  Se4  2  0.2863  0.7500  0.5279  1.0
  Se  Se5  2  0.4349  0.7500  0.1608  1.0
]