data_[Ta1Si1Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8330]
_cell_length_b [4.3626]
_cell_length_c [6.9538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaSiHg2]
_chemical_formula_sum '[Ta1 Si1 Hg2]'
_cell_volume [84.3123]
_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
[
  Ta  Ta0  1  0.2463  0.5000  0.6466  1
  Si  Si1  1  0.7267  0.0000  0.6049  1
  Hg  Hg2  1  0.5650  0.5000  0.2547  1
  Hg  Hg3  1  0.9620  0.0000  0.9938  1
]