data_[Al2Te2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8412]
_cell_length_b [6.4711]
_cell_length_c [6.5648]
_cell_angle_alpha [75.0069]
_cell_angle_beta [73.4796]
_cell_angle_gamma [89.3813]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlTeAu]
_chemical_formula_sum '[Al2 Te2 Au2]'
_cell_volume [150.7670]
_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
[
  Al  Al0  1  0.0704  0.3315  0.2090  1
  Al  Al1  1  0.7140  0.1860  0.9231  1
  Te  Te2  1  0.5095  0.5790  0.3265  1
  Te  Te3  1  0.8400  0.8899  0.6944  1
  Au  Au4  1  0.2755  0.4469  0.7878  1
  Au  Au5  1  0.5126  0.0479  0.3370  1
]