data_TaHg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.52
_cell_angle_alpha   100.34
_cell_angle_beta   100.34
_cell_angle_gamma   31.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Sb
_chemical_formula_sum   'Ta1 Hg2 Sb1'
_cell_volume   88.39
_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  0.13  0.0  0.84  1.0
  Hg  Hg0  1  0.4  0.0  0.16  1.0
  Hg  Hg1  1  0.63  0.0  0.13  1.0
  Sb  Sb2  1  0.08  0.0  0.0  1.0

data_TaHg2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.52
_cell_length_c   5.57
_cell_angle_alpha   100.34
_cell_angle_beta   105.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Sb
_chemical_formula_sum   'Ta1 Hg2 Sb1'
_cell_volume   88.39
_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  0.84  0.13  1.0
  Hg  Hg1  1  0.0  0.13  0.63  1.0
  Hg  Hg2  1  0.0  0.16  0.4  1.0
  Sb  Sb3  1  0.0  0.0  0.08  1.0

Ta Hg Hg Sb