data_[Li3V3P9O27]
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 [R3]
_cell_length_a [10.3717]
_cell_length_b [10.3717]
_cell_length_c [7.0881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiV(PO3)3]
_chemical_formula_sum '[Li3 V3 P9 O27]'
_cell_volume [660.3263]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3550  1.0
  V  V1  3  0.0000  0.0000  0.9874  1.0
  P  P2  9  0.0041  0.5691  0.4824  1.0
  O  O3  9  0.0126  0.6318  0.2723  1.0
  O  O4  9  0.0760  0.2025  0.8342  1.0
  O  O5  9  0.1810  0.1132  0.1922  1.0
]