data_[Sc24Te8As8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.7376]
_cell_length_b [11.3351]
_cell_length_c [6.6965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc3TeAs]
_chemical_formula_sum '[Sc24 Te8 As8]'
_cell_volume [1016.0164]
_cell_formula_units_Z [8]
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  0.0927  0.4440  0.9292  1
  Sc  Sc1  8  0.1000  0.2661  0.4657  1
  Sc  Sc2  8  0.1075  0.0784  0.9612  1
  Te  Te3  8  0.2474  0.3972  0.2992  1
  As  As4  4  0.0000  0.0917  0.2500  1
  As  As5  4  0.0000  0.2509  0.7500  1
]