data_[Li2V4P10O30]
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 [Pc]
_cell_length_a [5.3615]
_cell_length_b [8.8992]
_cell_length_c [13.6208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [LiV2(PO3)5]
_chemical_formula_sum '[Li2 V4 P10 O30]'
_cell_volume [607.5753]
_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  0.8876  0.0063  0.4566  1
  V  V1  2  0.0731  0.3046  0.9455  1
  V  V2  2  0.9326  0.3048  0.5579  1
  P  P3  2  0.3249  0.1803  0.4138  1
  P  P4  2  0.4628  0.4871  0.3576  1
  P  P5  2  0.5389  0.4886  0.1435  1
  P  P6  2  0.6800  0.1847  0.0866  1
  P  P7  2  0.9970  0.0376  0.7507  1
  O  O8  2  0.0779  0.1263  0.6742  1
  O  O9  2  0.1282  0.1705  0.4694  1
  O  O10  2  0.2445  0.0759  0.3112  1
  O  O11  2  0.2616  0.4848  0.0594  1
  O  O12  2  0.2850  0.3459  0.3650  1
  O  O13  2  0.2916  0.3776  0.8479  1
  O  O14  2  0.3924  0.1572  0.0230  1
  O  O15  2  0.5013  0.4469  0.2506  1
  O  O16  2  0.6168  0.1512  0.4739  1
  O  O17  2  0.7036  0.3735  0.6525  1
  O  O18  2  0.7229  0.3502  0.1368  1
  O  O19  2  0.7396  0.4843  0.4420  1
  O  O20  2  0.7599  0.0800  0.1895  1
  O  O21  2  0.8819  0.1725  0.0334  1
  O  O22  2  0.9113  0.1114  0.8336  1
]