data_[Sc4Te8Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.7520]
_cell_length_b [7.0976]
_cell_length_c [8.8444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ScTe2Au]
_chemical_formula_sum '[Sc4 Te8 Au4]'
_cell_volume [485.5892]
_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  4  0.4585  0.5408  0.1835  1
  Te  Te1  4  0.1919  0.2462  0.6017  1
  Te  Te2  4  0.2845  0.7161  0.8360  1
  Au  Au3  4  0.3858  0.1562  0.9383  1
]