data_[Li4V2P2O10]
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 [Pmn2_1]
_cell_length_a [6.5495]
_cell_length_b [4.1725]
_cell_length_c [6.7074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2VPO5]
_chemical_formula_sum '[Li4 V2 P2 O10]'
_cell_volume [183.2996]
_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  4  0.2289  0.5322  0.5241  1
  V  V1  2  0.0000  0.1166  0.7536  1
  P  P2  2  0.0000  0.9975  0.2543  1
  O  O3  4  0.1930  0.7806  0.2550  1
  O  O4  2  0.0000  0.2058  0.0635  1
  O  O5  2  0.0000  0.2102  0.4425  1
  O  O6  2  0.0000  0.6667  0.7312  1
]