data_Ta2SnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.21
_cell_angle_alpha   97.55
_cell_angle_beta   97.55
_cell_angle_gamma   31.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnHg
_chemical_formula_sum   'Ta2 Sn1 Hg1'
_cell_volume   79.95
_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  0.07  0.0  0.02  1.0
  Ta  Ta3  1  0.59  0.0  0.28  1.0
  Sn  Sn1  1  0.16  0.0  0.92  1.0
  Hg  Hg0  1  0.79  0.0  0.52  1.0

data_Ta2SnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.21
_cell_length_c   5.43
_cell_angle_alpha   97.55
_cell_angle_beta   105.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnHg
_chemical_formula_sum   'Ta2 Sn1 Hg1'
_cell_volume   79.95
_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  0.02  0.07  1.0
  Ta  Ta1  1  0.0  0.28  0.59  1.0
  Sn  Sn2  1  0.0  0.92  0.16  1.0
  Hg  Hg3  1  0.0  0.52  0.79  1.0

Ta Ta Sn Hg