data_[Li2V2Ni2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [7.2551]
_cell_length_b [3.5011]
_cell_length_c [8.9366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiVNiSe3]
_chemical_formula_sum '[Li2 V2 Ni2 Se6]'
_cell_volume [217.0533]
_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
[
  Li  Li0  2  0.2431  0.2500  0.2759  1.0
  V  V1  2  0.2992  0.7500  0.8161  1.0
  Ni  Ni2  2  0.0871  0.2500  0.6011  1.0
  Se  Se3  2  0.0765  0.2500  0.8588  1.0
  Se  Se4  2  0.2688  0.7500  0.5373  1.0
  Se  Se5  2  0.4276  0.7500  0.1287  1.0
]