data_[Sc20Cu8Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.4510]
_cell_length_b [7.4510]
_cell_length_c [11.9229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sc5Cu2Te]
_chemical_formula_sum '[Sc20 Cu8 Te4]'
_cell_volume [661.9311]
_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  16  0.1538  0.3462  0.6400  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  8  0.1333  0.3667  0.0000  1
  Te  Te3  4  0.0000  0.0000  0.2500  1
]