data_[Te2P2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0071]
_cell_length_b [5.9194]
_cell_length_c [6.2219]
_cell_angle_alpha [79.3046]
_cell_angle_beta [66.6010]
_cell_angle_gamma [84.0499]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TePAu]
_chemical_formula_sum '[Te2 P2 Au2]'
_cell_volume [166.2129]
_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  0.6756  0.3424  0.2202  1.0
  Te  Te1  1  0.9834  0.7527  0.1498  1.0
  P  P2  1  0.2770  0.3912  0.6071  1.0
  P  P3  1  0.9618  0.6782  0.5636  1.0
  Au  Au4  1  0.1239  0.0317  0.5834  1.0
  Au  Au5  1  0.4898  0.5308  0.8514  1.0
]