data_[Li4Fe1Bi1Te2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2147]
_cell_length_b [5.5001]
_cell_length_c [7.6077]
_cell_angle_alpha [85.6520]
_cell_angle_beta [89.9874]
_cell_angle_gamma [89.8059]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4FeBi(TeO6)2]
_chemical_formula_sum '[Li4 Fe1 Bi1 Te2 O12]'
_cell_volume [217.5731]
_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  0.0031  0.5574  0.3083  1.0
  Li  Li1  1  0.4970  0.0875  0.7636  1.0
  Li  Li2  1  0.5050  0.0999  0.3142  1.0
  Li  Li3  1  0.9925  0.5640  0.7633  1.0
  Fe  Fe4  1  0.5012  0.5180  0.5040  1.0
  Bi  Bi5  1  0.9990  0.0035  0.0056  1.0
  Te  Te6  1  0.0002  0.0009  0.5008  1.0
  Te  Te7  1  0.4998  0.5012  0.9999  1.0
  O  O8  1  0.1502  0.9803  0.2613  1.0
  O  O9  1  0.1742  0.6858  0.5497  1.0
  O  O10  1  0.2002  0.3223  0.9092  1.0
  O  O11  1  0.3060  0.1779  0.5503  1.0
  O  O12  1  0.3282  0.8034  0.9137  1.0
  O  O13  1  0.3707  0.4870  0.2354  1.0
  O  O14  1  0.6280  0.4678  0.7614  1.0
  O  O15  1  0.6457  0.1729  0.0662  1.0
  O  O16  1  0.7096  0.8094  0.4262  1.0
  O  O17  1  0.8043  0.2914  0.4331  1.0
  O  O18  1  0.8271  0.6471  0.0626  1.0
  O  O19  1  0.8579  0.9646  0.7426  1.0
]