data_[Li2V2P4O16]
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 [Pmc2_1]
_cell_length_a [5.7604]
_cell_length_b [4.8869]
_cell_length_c [9.7694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [LiV(PO4)2]
_chemical_formula_sum '[Li2 V2 P4 O16]'
_cell_volume [275.0153]
_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  0.5000  0.1804  0.2164  1
  V  V1  2  0.0000  0.3073  0.7672  1
  P  P2  2  0.0000  0.1145  0.0934  1
  P  P3  2  0.5000  0.3081  0.9095  1
  O  O4  4  0.2016  0.0457  0.6650  1
  O  O5  4  0.2773  0.4463  0.8316  1
  O  O6  2  0.0000  0.0904  0.9374  1
  O  O7  2  0.0000  0.4218  0.1344  1
  O  O8  2  0.5000  0.0066  0.8856  1
  O  O9  2  0.5000  0.4099  0.0542  1
]