data_[Te4H4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.3158]
_cell_length_b [6.3246]
_cell_length_c [4.3996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TeHAu]
_chemical_formula_sum '[Te4 H4 Au4]'
_cell_volume [291.3909]
_cell_formula_units_Z [4]
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  0.2027  0.0000  0.5456  1.0
  Te  Te1  2  0.2478  0.5000  0.6010  1.0
  H  H2  4  0.0120  0.4399  0.8771  1.0
  Au  Au3  2  0.0549  0.0000  0.9011  1.0
  Au  Au4  2  0.3941  0.5000  0.2439  1.0
]