data_[Te2As2Au2]
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 [P1]
_cell_length_a [4.4203]
_cell_length_b [6.2252]
_cell_length_c [6.2406]
_cell_angle_alpha [101.2292]
_cell_angle_beta [109.9168]
_cell_angle_gamma [103.8699]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TeAsAu]
_chemical_formula_sum '[Te2 As2 Au2]'
_cell_volume [149.3887]
_cell_formula_units_Z [2]
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  1  0.0650  0.8148  0.5705  1.0
  Te  Te1  1  0.6046  0.2927  0.4001  1.0
  As  As2  1  0.0677  0.3060  0.0400  1.0
  As  As3  1  0.1961  0.7532  0.1673  1.0
  Au  Au4  1  0.3449  0.3098  0.7409  1.0
  Au  Au5  1  0.6507  0.7957  0.8966  1.0
]