data_[Te2P2Au4]
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 [Amm2]
_cell_length_a [3.8506]
_cell_length_b [5.4395]
_cell_length_c [8.1035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TePAu2]
_chemical_formula_sum '[Te2 P2 Au4]'
_cell_volume [169.7282]
_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  2  0.5000  0.0000  0.2621  1
  P  P1  2  0.0000  0.0000  0.5108  1
  Au  Au2  2  0.0000  0.0000  0.9941  1
  Au  Au3  2  0.5000  0.0000  0.7329  1
]