data_[Ta1Hg1W2]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.7955]
_cell_length_b [4.7059]
_cell_length_c [5.4615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TaHgW2]
_chemical_formula_sum '[Ta1 Hg1 W2]'
_cell_volume [71.0437]
_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  0.0000  0.5000  0.5000  1
  Hg  Hg1  1  0.5000  0.5000  0.0000  1
  W  W2  2  0.2775  0.0000  0.2701  1
]