data_[Li4V16P12O48]
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 [Pnma]
_cell_length_a [6.5235]
_cell_length_b [14.4194]
_cell_length_c [10.0381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiV4(PO4)3]
_chemical_formula_sum '[Li4 V16 P12 O48]'
_cell_volume [944.2347]
_cell_formula_units_Z [4]
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  4  0.0554  0.2500  0.7400  1
  V  V1  8  0.1499  0.5981  0.4518  1
  V  V2  8  0.1534  0.6093  0.8469  1
  P  P3  8  0.1465  0.5747  0.1309  1
  P  P4  4  0.0060  0.7500  0.5961  1
  O  O5  8  0.0238  0.1145  0.9629  1
  O  O6  8  0.0831  0.0137  0.2075  1
  O  O7  8  0.0983  0.6589  0.6519  1
  O  O8  8  0.1777  0.0516  0.5249  1
  O  O9  8  0.2175  0.6461  0.2346  1
  O  O10  4  0.0634  0.7500  0.4450  1
  O  O11  4  0.2272  0.2500  0.3818  1
]