data_[Hg3Ge1Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6385]
_cell_length_b [5.6642]
_cell_length_c [6.7148]
_cell_angle_alpha [77.1799]
_cell_angle_beta [81.9984]
_cell_angle_gamma [65.8327]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Hg3GeAu4]
_chemical_formula_sum '[Hg3 Ge1 Au4]'
_cell_volume [190.4980]
_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
[
  Hg  Hg0  1  0.1515  0.2031  0.4431  1
  Hg  Hg1  1  0.9661  0.7298  0.7208  1
  Hg  Hg2  1  0.9852  0.8821  0.1650  1
  Ge  Ge3  1  0.6380  0.4755  0.4327  1
  Au  Au4  1  0.4549  0.2325  0.7535  1
  Au  Au5  1  0.4661  0.7382  0.7308  1
  Au  Au6  1  0.4935  0.3689  0.1272  1
  Au  Au7  1  0.4958  0.8699  0.1268  1
]