data_[Ta4Hg4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.8173]
_cell_length_b [2.9936]
_cell_length_c [5.2516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaHgAu]
_chemical_formula_sum '[Ta4 Hg4 Au4]'
_cell_volume [230.4561]
_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
[
  Ta  Ta0  2  0.1886  0.5000  0.7214  1
  Ta  Ta1  2  0.3349  0.5000  0.1074  1
  Hg  Hg2  2  0.0088  0.5000  0.2832  1
  Hg  Hg3  2  0.0161  0.0000  0.7847  1
  Au  Au4  2  0.1837  0.0000  0.2205  1
  Au  Au5  2  0.3413  0.0000  0.6200  1
]