data_[Sc3Te1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [4.8339]
_cell_length_b [5.7627]
_cell_length_c [5.2387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Sc3TeO8]
_chemical_formula_sum '[Sc3 Te1 O8]'
_cell_volume [145.9274]
_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
[
  Sc  Sc0  1  0.0000  0.0652  0.5000  1.0
  Sc  Sc1  1  0.0000  0.4178  0.0000  1.0
  Sc  Sc2  1  0.5000  0.5787  0.5000  1.0
  Te  Te3  1  0.5000  0.9046  0.0000  1.0
  O  O4  2  0.1893  0.3647  0.3574  1.0
  O  O5  2  0.2564  0.1330  0.8471  1.0
  O  O6  2  0.2778  0.6553  0.8359  1.0
  O  O7  2  0.2841  0.8663  0.3074  1.0
]