data_[Sc16Si4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0265]
_cell_length_b [12.5370]
_cell_length_c [5.6344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc4SiTe]
_chemical_formula_sum '[Sc16 Si4 Te4]'
_cell_volume [521.3924]
_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  8  0.1008  0.1841  0.0622  1.0
  Sc  Sc1  8  0.2116  0.4126  0.3435  1.0
  Si  Si2  4  0.0000  0.0006  0.7500  1.0
  Te  Te3  4  0.0000  0.3849  0.7500  1.0
]