data_[Li1V1P2O7]
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 [P1]
_cell_length_a [4.5506]
_cell_length_b [5.2641]
_cell_length_c [5.3223]
_cell_angle_alpha [102.9408]
_cell_angle_beta [97.9784]
_cell_angle_gamma [98.2827]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiVP2O7]
_chemical_formula_sum '[Li1 V1 P2 O7]'
_cell_volume [121.0102]
_cell_formula_units_Z [1]
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  1  0.4657  0.2769  0.7711  1.0
  V  V1  1  0.5039  0.6267  0.3718  1.0
  P  P2  1  0.0922  0.7518  0.8257  1.0
  P  P3  1  0.9150  0.1677  0.2422  1.0
  O  O4  1  0.0159  0.0327  0.9729  1.0
  O  O5  1  0.2104  0.3194  0.4246  1.0
  O  O6  1  0.2494  0.6202  0.0196  1.0
  O  O7  1  0.3003  0.8476  0.6473  1.0
  O  O8  1  0.6990  0.3439  0.1538  1.0
  O  O9  1  0.7619  0.9590  0.3601  1.0
  O  O10  1  0.7864  0.5786  0.6866  1.0
]