data_TaSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.33
_cell_angle_alpha   102.35
_cell_angle_beta   102.35
_cell_angle_gamma   30.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Hg
_chemical_formula_sum   'Ta1 Sn2 Hg1'
_cell_volume   89.35
_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  0.77  0.0  0.85  1.0
  Sn  Sn1  1  0.13  0.0  0.29  1.0
  Sn  Sn2  1  0.72  0.0  0.56  1.0
  Hg  Hg0  1  0.48  0.0  0.1  1.0

data_TaSn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.33
_cell_length_c   5.83
_cell_angle_alpha   102.35
_cell_angle_beta   105.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Hg
_chemical_formula_sum   'Ta1 Sn2 Hg1'
_cell_volume   89.35
_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  0.85  0.77  1.0
  Sn  Sn1  1  0.0  0.29  0.13  1.0
  Sn  Sn2  1  0.0  0.56  0.72  1.0
  Hg  Hg3  1  0.0  0.1  0.48  1.0

Ta Sn Sn Hg