data_Ta2AlHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.55
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   97.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlHg
_chemical_formula_sum   'Ta2 Al1 Hg1'
_cell_volume   73.03
_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  Ta2  1  0.16  0.0  0.43  1.0
  Ta  Ta3  1  0.07  0.28  0.49  1.0
  Al  Al0  1  0.76  0.0  0.56  1.0
  Hg  Hg1  1  0.63  0.28  0.13  1.0

data_Ta2AlHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.55
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   97.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlHg
_chemical_formula_sum   'Ta2 Al1 Hg1'
_cell_volume   73.03
_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  0.07  0.28  0.49  1.0
  Ta  Ta1  1  0.16  0.0  0.43  1.0
  Al  Al2  1  0.76  0.0  0.56  1.0
  Hg  Hg3  1  0.63  0.28  0.13  1.0

Ta Ta Al Hg