data_[Cr8Te24Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2650]
_cell_length_b [12.7861]
_cell_length_c [7.2396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrTe3Au]
_chemical_formula_sum '[Cr8 Te24 Au8]'
_cell_volume [1069.0740]
_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
[
  Cr  Cr0  4  0.0000  0.2767  0.7500  1
  Cr  Cr1  4  0.0000  0.4234  0.2500  1
  Te  Te2  8  0.1220  0.4249  0.6420  1
  Te  Te3  8  0.1255  0.2778  0.1444  1
  Te  Te4  8  0.1323  0.1240  0.6816  1
  Au  Au5  8  0.1284  0.0783  0.3025  1
]