data_[Te4Pd1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2264]
_cell_length_b [4.1421]
_cell_length_c [7.3720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Te4PdAu]
_chemical_formula_sum '[Te4 Pd1 Au1]'
_cell_volume [159.5911]
_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  2  0.2509  0.5000  0.1767  1.0
  Te  Te1  2  0.2931  0.0000  0.6309  1.0
  Pd  Pd2  1  0.0000  0.5000  0.5000  1.0
  Au  Au3  1  0.0000  0.0000  0.0000  1.0
]