data_[Sc24Te12As9C3]
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
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8196]
_cell_length_b [7.8196]
_cell_length_c [19.9358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sc8Te4As3C]
_chemical_formula_sum '[Sc24 Te12 As9 C3]'
_cell_volume [1055.6867]
_cell_formula_units_Z [3]
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  18  0.0327  0.5164  0.7329  1.0
  Sc  Sc1  6  0.0000  0.0000  0.2618  1.0
  Te  Te2  9  0.0000  0.5000  0.5000  1.0
  Te  Te3  3  -0.0000  -0.0000  0.5000  1.0
  As  As4  9  0.0000  0.5000  0.0000  1.0
  C  C5  3  0.0000  0.0000  0.0000  1.0
]