data_[Li1V1As2O7]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8199]
_cell_length_b [5.4257]
_cell_length_c [5.4378]
_cell_angle_alpha [102.7550]
_cell_angle_beta [97.4224]
_cell_angle_gamma [99.1182]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiVAs2O7]
_chemical_formula_sum '[Li1 V1 As2 O7]'
_cell_volume [134.9392]
_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  0.4401  0.2771  0.7835  1.0
  V  V1  1  0.5072  0.6232  0.3721  1.0
  As  As2  1  0.0968  0.7410  0.8132  1.0
  As  As3  1  0.9120  0.1771  0.2476  1.0
  O  O4  1  0.0316  0.0531  0.9589  1.0
  O  O5  1  0.2200  0.3474  0.4504  1.0
  O  O6  1  0.2553  0.5972  0.0237  1.0
  O  O7  1  0.3264  0.8617  0.6315  1.0
  O  O8  1  0.6697  0.3503  0.1469  1.0
  O  O9  1  0.7682  0.5573  0.6723  1.0
  O  O10  1  0.7728  0.9390  0.3755  1.0
]