data_[Ti3Te1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5560]
_cell_length_b [5.6464]
_cell_length_c [8.0005]
_cell_angle_alpha [84.4818]
_cell_angle_beta [85.6389]
_cell_angle_gamma [78.3185]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ti3TeO8]
_chemical_formula_sum '[Ti3 Te1 O8]'
_cell_volume [244.2382]
_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
[
  Ti  Ti0  1  0.4310  0.0073  0.6248  1.0
  Ti  Ti1  1  0.5766  0.5142  0.3743  1.0
  Ti  Ti2  1  0.9102  0.9960  0.8796  1.0
  Te  Te3  1  0.1455  0.4120  0.1184  1.0
  O  O4  1  0.0267  0.6752  0.9608  1.0
  O  O5  1  0.1055  0.0633  0.6948  1.0
  O  O6  1  0.3666  0.6235  0.2131  1.0
  O  O7  1  0.4999  0.2220  0.4497  1.0
  O  O8  1  0.5185  0.7074  0.5498  1.0
  O  O9  1  0.5981  0.0299  0.8079  1.0
  O  O10  1  0.9083  0.4904  0.2981  1.0
  O  O11  1  0.9131  0.2106  0.0287  1.0
]