data_[Te4Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.1114]
_cell_length_b [7.1114]
_cell_length_c [19.5238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Te4Au3]
_chemical_formula_sum '[Te4 Au3]'
_cell_volume [855.0753]
_cell_formula_units_Z [1]
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  3  0.0000  0.2725  0.4447  1
  Te  Te1  1  0.0000  0.0000  0.6764  1
  Au  Au2  2  0.3333  0.6667  0.4705  1
  Au  Au3  1  0.0000  0.0000  0.5483  1
]