data_[Li1Fe2Te1O6]
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
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2048]
_cell_length_b [5.2137]
_cell_length_c [5.6434]
_cell_angle_alpha [91.4150]
_cell_angle_beta [115.7194]
_cell_angle_gamma [119.5331]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiFe2TeO6]
_chemical_formula_sum '[Li1 Fe2 Te1 O6]'
_cell_volume [114.3464]
_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  0.5834  0.8005  0.3839  1.0
  Fe  Fe1  1  0.0257  0.0119  0.0398  1.0
  Fe  Fe2  1  0.0589  0.5271  0.5832  1.0
  Te  Te3  1  0.6492  0.3246  0.9757  1.0
  O  O4  1  0.1021  0.3950  0.2350  1.0
  O  O5  1  0.1837  0.2227  0.7707  1.0
  O  O6  1  0.5076  0.1186  0.2258  1.0
  O  O7  1  0.5585  0.9557  0.7697  1.0
  O  O8  1  0.8215  0.5891  0.7710  1.0
  O  O9  1  0.8326  0.7164  0.2301  1.0
]