data_[Sc20Ni8Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.9578]
_cell_length_b [6.9578]
_cell_length_c [13.3033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sc5Ni2Te]
_chemical_formula_sum '[Sc20 Ni8 Te4]'
_cell_volume [644.0158]
_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  0.1558  0.3442  0.3638  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  Ni  Ni2  8  0.1349  0.6349  0.5000  1
  Te  Te3  4  0.0000  0.0000  0.2500  1
]