data_[Li4V2B2O8]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.7345]
_cell_length_b [5.1766]
_cell_length_c [7.8306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Li2VBO4]
_chemical_formula_sum '[Li4 V2 B2 O8]'
_cell_volume [152.7658]
_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  0.5010  0.3087  0.4955  1.0
  Li  Li1  2  0.7555  0.1457  0.2475  1.0
  V  V2  2  0.0147  0.3245  0.0056  1.0
  B  B3  2  0.2414  0.1790  0.7473  1.0
  O  O4  2  0.1455  0.3135  0.5477  1.0
  O  O5  2  0.3356  0.0969  0.2441  1.0
  O  O6  2  0.5467  0.3113  0.9490  1.0
  O  O7  2  0.9287  0.1906  0.7489  1.0
]