data_TaHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   4.69
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   98.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgW2
_chemical_formula_sum   'Ta1 Hg1 W2'
_cell_volume   71.16
_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  Ta1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.97  0.0  0.71  1.0
  W  W2  1  0.83  0.35  0.24  1.0
  W  W3  1  0.11  0.35  0.17  1.0

data_TaHgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.69
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   98.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgW2
_chemical_formula_sum   'Ta1 Hg1 W2'
_cell_volume   71.16
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.97  0.0  0.71  1.0
  W  W2  1  0.11  0.35  0.17  1.0
  W  W3  1  0.83  0.35  0.24  1.0

Ta Hg W W