data_[Te4As4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2428]
_cell_length_b [5.8617]
_cell_length_c [9.0750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TeAsAu]
_chemical_formula_sum '[Te4 As4 Au4]'
_cell_volume [331.8935]
_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
[
  Te  Te0  4  0.3691  0.7019  0.8903  1.0
  As  As1  4  0.1299  0.0789  0.8786  1.0
  Au  Au2  4  0.2459  0.0912  0.1584  1.0
]