data_SrTa2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   6.64
_cell_angle_alpha   96.32
_cell_angle_beta   96.32
_cell_angle_gamma   34.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Hg
_chemical_formula_sum   'Sr1 Ta2 Hg1'
_cell_volume   97.83
_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
  Sr  Sr1  1  0.81  0.0  0.88  1.0
  Ta  Ta2  1  0.12  0.0  0.6  1.0
  Ta  Ta3  1  0.28  0.0  0.32  1.0
  Hg  Hg0  1  0.41  0.0  0.1  1.0

data_SrTa2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.14
_cell_length_c   6.64
_cell_angle_alpha   96.32
_cell_angle_beta   90.0
_cell_angle_gamma   107.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Hg
_chemical_formula_sum   'Sr1 Ta2 Hg1'
_cell_volume   97.83
_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
  Sr  Sr0  1  0.0  0.19  0.12  1.0
  Ta  Ta1  1  0.0  0.72  0.68  1.0
  Ta  Ta2  1  0.0  0.88  0.4  1.0
  Hg  Hg3  1  0.0  0.59  0.9  1.0

Sr Ta Ta Hg