data_[Li2V2P8O24]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.2690]
_cell_length_b [13.7346]
_cell_length_c [7.2633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiV(PO3)4]
_chemical_formula_sum '[Li2 V2 P8 O24]'
_cell_volume [521.4176]
_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  0.3812  0.4918  0.8862  1
  V  V1  2  0.4858  0.2636  0.4930  1
  P  P2  2  0.0037  0.1241  0.5458  1
  P  P3  2  0.0310  0.9017  0.5512  1
  P  P4  2  0.1388  0.3285  0.1016  1
  P  P5  2  0.2207  0.6800  0.1153  1
  O  O6  2  0.0052  0.6348  0.2349  1
  O  O7  2  0.0313  0.8940  0.7723  1
  O  O8  2  0.0490  0.7392  0.9566  1
  O  O9  2  0.0644  0.5112  0.4952  1
  O  O10  2  0.1707  0.3386  0.5514  1
  O  O11  2  0.1851  0.3882  0.9401  1
  O  O12  2  0.2068  0.6801  0.5655  1
  O  O13  2  0.2758  0.1396  0.5064  1
  O  O14  2  0.3036  0.8902  0.5104  1
  O  O15  2  0.3450  0.6003  0.0232  1
  O  O16  2  0.3648  0.2853  0.2244  1
  O  O17  2  0.3881  0.7500  0.2375  1
]