data_[Te1P2Au1]
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 [Pm]
_cell_length_a [4.3149]
_cell_length_b [3.2793]
_cell_length_c [6.8460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TeP2Au]
_chemical_formula_sum '[Te1 P2 Au1]'
_cell_volume [96.4231]
_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  1  0.9964  0.0000  0.5262  1
  P  P1  1  0.5221  0.5000  0.0852  1
  P  P2  1  0.8655  0.0000  0.1424  1
  Au  Au3  1  0.6159  0.5000  0.7462  1
]