data_[Li4V1Cr1Te2O12]
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
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0975]
_cell_length_b [5.3703]
_cell_length_c [7.4285]
_cell_angle_alpha [93.9466]
_cell_angle_beta [90.0143]
_cell_angle_gamma [90.2230]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4VCr(TeO6)2]
_chemical_formula_sum '[Li4 V1 Cr1 Te2 O12]'
_cell_volume [202.8718]
_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  0.0024  0.4312  0.2750  1.0
  Li  Li1  1  0.5001  0.9182  0.2850  1.0
  Li  Li2  1  0.5008  0.9329  0.7946  1.0
  Li  Li3  1  0.9956  0.4108  0.8017  1.0
  V  V4  1  0.5015  0.4858  0.5100  1.0
  Cr  Cr5  1  0.0001  0.9959  0.0007  1.0
  Te  Te6  1  0.5064  0.5007  0.0084  1.0
  Te  Te7  1  0.9973  0.9891  0.4992  1.0
  O  O8  1  0.1272  0.0255  0.7395  1.0
  O  O9  1  0.1824  0.3323  0.0482  1.0
  O  O10  1  0.1984  0.6997  0.4222  1.0
  O  O11  1  0.3063  0.2092  0.4301  1.0
  O  O12  1  0.3337  0.8209  0.0468  1.0
  O  O13  1  0.3769  0.5126  0.7348  1.0
  O  O14  1  0.6279  0.5215  0.2554  1.0
  O  O15  1  0.6745  0.8231  0.5564  1.0
  O  O16  1  0.6889  0.2039  0.9259  1.0
  O  O17  1  0.8002  0.6888  0.9229  1.0
  O  O18  1  0.8063  0.3251  0.5559  1.0
  O  O19  1  0.8733  0.0303  0.2586  1.0
]