data_TaGaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.46
_cell_angle_alpha   115.72
_cell_angle_beta   115.72
_cell_angle_gamma   30.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGaHg2
_chemical_formula_sum   'Ta1 Ga1 Hg2'
_cell_volume   78.59
_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  0.43  0.0  0.93  1.0
  Ga  Ga0  1  0.35  0.0  0.72  1.0
  Hg  Hg1  1  0.56  0.0  0.45  1.0
  Hg  Hg2  1  0.58  0.0  0.08  1.0

data_TaGaHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.46
_cell_length_c   5.61
_cell_angle_alpha   115.72
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGaHg2
_chemical_formula_sum   'Ta1 Ga1 Hg2'
_cell_volume   78.59
_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  0.93  0.43  1.0
  Ga  Ga1  1  0.0  0.72  0.35  1.0
  Hg  Hg2  1  0.0  0.08  0.58  1.0
  Hg  Hg3  1  0.0  0.45  0.56  1.0

Ta Ga Hg Hg