data_TaHg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.49
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   94.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Ir
_chemical_formula_sum   'Ta1 Hg2 Ir1'
_cell_volume   77.7
_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  Ta3  1  0.09  0.0  0.28  1.0
  Hg  Hg0  1  0.53  0.75  0.27  1.0
  Hg  Hg1  1  0.21  0.0  0.04  1.0
  Ir  Ir2  1  0.6  0.75  0.96  1.0

data_TaHg2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.49
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   94.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Ir
_chemical_formula_sum   'Ta1 Hg2 Ir1'
_cell_volume   77.7
_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  0.09  0.0  0.28  1.0
  Hg  Hg1  1  0.21  0.0  0.04  1.0
  Hg  Hg2  1  0.53  0.75  0.27  1.0
  Ir  Ir3  1  0.6  0.75  0.96  1.0

Ta Hg Hg Ir