data_[Sc12Te4O4]
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 [Ama2]
_cell_length_a [4.3178]
_cell_length_b [13.7461]
_cell_length_c [6.9894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [Sc3TeO]
_chemical_formula_sum '[Sc12 Te4 O4]'
_cell_volume [414.8368]
_cell_formula_units_Z [4]
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  4  0.2500  0.0747  0.6362  1
  Sc  Sc1  4  0.2500  0.2864  0.9532  1
  Sc  Sc2  4  0.2500  0.4030  0.4417  1
  Te  Te3  4  0.2500  0.1211  0.2227  1
  O  O4  4  0.2500  0.4172  0.1254  1
]