data_SrGa2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   3.49
_cell_angle_alpha   101.07
_cell_angle_beta   101.07
_cell_angle_gamma   116.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Hg
_chemical_formula_sum   'Sr1 Ga2 Hg1'
_cell_volume   105.2
_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  Sr3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.94  0.56  0.62  1.0
  Ga  Ga1  1  0.94  0.44  0.62  1.0
  Hg  Hg2  1  0.16  0.0  0.0  1.0

data_SrGa2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   6.0
_cell_length_c   6.02
_cell_angle_alpha   116.19
_cell_angle_beta   101.07
_cell_angle_gamma   101.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Hg
_chemical_formula_sum   'Sr1 Ga2 Hg1'
_cell_volume   105.2
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.06  0.44  0.38  1.0
  Ga  Ga2  1  0.19  0.56  0.5  1.0
  Hg  Hg3  1  0.0  0.0  0.16  1.0

Sr Ga Ga Hg