data_[Li3V1Te4O12]
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
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5766]
_cell_length_b [6.4466]
_cell_length_c [7.9701]
_cell_angle_alpha [95.8487]
_cell_angle_beta [92.3217]
_cell_angle_gamma [97.8870]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3V(TeO3)4]
_chemical_formula_sum '[Li3 V1 Te4 O12]'
_cell_volume [281.9079]
_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  0.0051  0.4000  0.7805  1.0
  Li  Li1  1  0.4546  0.0198  0.7619  1.0
  Li  Li2  1  0.4709  0.0232  0.2688  1.0
  V  V3  1  0.0004  0.3625  0.2926  1.0
  Te  Te4  1  0.0077  0.9840  0.9896  1.0
  Te  Te5  1  0.4884  0.5005  0.5084  1.0
  Te  Te6  1  0.5607  0.5083  0.9555  1.0
  Te  Te7  1  0.9351  0.0065  0.5166  1.0
  O  O8  1  0.1089  0.0639  0.7695  1.0
  O  O9  1  0.1271  0.3138  0.0938  1.0
  O  O10  1  0.2186  0.6040  0.4000  1.0
  O  O11  1  0.3062  0.9068  0.0512  1.0
  O  O12  1  0.3252  0.2282  0.4115  1.0
  O  O13  1  0.3537  0.5210  0.7414  1.0
  O  O14  1  0.6133  0.9032  0.5668  1.0
  O  O15  1  0.6610  0.2535  0.8799  1.0
  O  O16  1  0.7680  0.4994  0.2468  1.0
  O  O17  1  0.8395  0.0779  0.2721  1.0
  O  O18  1  0.8527  0.6594  0.8789  1.0
  O  O19  1  0.9028  0.3050  0.5436  1.0
]