data_[Na4Ti2V4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3381]
_cell_length_b [10.9092]
_cell_length_c [7.4897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ti(VSe3)2]
_chemical_formula_sum '[Na4 Ti2 V4 Se12]'
_cell_volume [500.2140]
_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
[
  Na  Na0  4  0.0000  0.1746  0.0000  1.0
  Ti  Ti1  2  0.0000  0.0000  0.5000  1.0
  V  V2  4  0.0000  0.3500  0.5000  1.0
  Se  Se3  8  0.2248  0.1706  0.6987  1.0
  Se  Se4  4  0.2304  0.5000  0.7173  1.0
]