data_[Li1V5O10]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1119]
_cell_length_b [5.1482]
_cell_length_c [7.8142]
_cell_angle_alpha [74.1748]
_cell_angle_beta [74.8732]
_cell_angle_gamma [78.9681]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiV5O10]
_chemical_formula_sum '[Li1 V5 O10]'
_cell_volume [189.3913]
_cell_formula_units_Z [1]
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  1  0.4959  0.2942  0.5517  1.0
  V  V1  1  0.0376  0.8972  0.6818  1.0
  V  V2  1  0.4989  0.9915  0.9989  1.0
  V  V3  1  0.9784  0.6538  0.1403  1.0
  V  V4  1  0.9854  0.3155  0.8868  1.0
  V  V5  1  1.0000  0.0773  0.3188  1.0
  O  O6  1  0.1857  0.5335  0.6920  1.0
  O  O7  1  0.2017  0.3239  0.0672  1.0
  O  O8  1  0.2281  0.0992  0.4786  1.0
  O  O9  1  0.2308  0.9806  0.8500  1.0
  O  O10  1  0.2463  0.7944  0.2146  1.0
  O  O11  1  0.7534  0.1868  0.7783  1.0
  O  O12  1  0.7884  0.6612  0.9479  1.0
  O  O13  1  0.7884  0.9167  0.5180  1.0
  O  O14  1  0.7900  0.0348  0.1265  1.0
  O  O15  1  0.7965  0.4526  0.3307  1.0
]