data_[Fe8Te8O24]
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 [Pbca]
_cell_length_a [6.4196]
_cell_length_b [12.4700]
_cell_length_c [7.1304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [FeTeO3]
_chemical_formula_sum '[Fe8 Te8 O24]'
_cell_volume [570.8060]
_cell_formula_units_Z [8]
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  8  0.1301  0.0904  0.8998  1
  Te  Te1  8  0.0906  0.1452  0.4308  1
  O  O2  8  0.0319  0.5874  0.8457  1
  O  O3  8  0.1532  0.5689  0.4498  1
  O  O4  8  0.1984  0.2268  0.0403  1
]