data_[Li6U2V4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  U  1.3800  1.7500  0.9913
  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 [6.5889]
_cell_length_b [11.4062]
_cell_length_c [6.8280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3U(VSe3)2]
_chemical_formula_sum '[Li6 U2 V4 Se12]'
_cell_volume [485.4864]
_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  4  0.0000  0.1617  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  U  U2  2  0.0000  0.0000  0.0000  1
  V  V3  4  0.0000  0.3330  0.0000  1
  Se  Se4  8  0.2422  0.3222  0.7611  1
  Se  Se5  4  0.2250  0.5000  0.2400  1
]