data_[Ta2Hg2Au2]
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 [P2_1/m]
_cell_length_a [2.9496]
_cell_length_b [2.9292]
_cell_length_c [14.0348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaHgAu]
_chemical_formula_sum '[Ta2 Hg2 Au2]'
_cell_volume [121.2198]
_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
[
  Ta  Ta0  2  0.2114  0.7500  0.4209  1.0
  Hg  Hg1  2  0.0335  0.7500  0.1008  1.0
  Au  Au2  2  0.3143  0.7500  0.7237  1.0
]