data_[Fe3Te1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2]
_cell_length_a [4.6031]
_cell_length_b [5.5997]
_cell_length_c [5.0726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Fe3TeO8]
_chemical_formula_sum '[Fe3 Te1 O8]'
_cell_volume [130.7521]
_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
[
  Fe  Fe0  1  0.0000  0.4216  0.0000  1.0
  Fe  Fe1  1  0.5000  0.5933  0.5000  1.0
  Fe  Fe2  1  0.5000  0.8998  0.0000  1.0
  Te  Te3  1  0.0000  0.0980  0.5000  1.0
  O  O4  2  0.2254  0.3570  0.6689  1.0
  O  O5  2  0.2299  0.1339  0.1786  1.0
  O  O6  2  0.2542  0.8657  0.6643  1.0
  O  O7  2  0.2850  0.6370  0.1706  1.0
]