data_SrHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   132.07
_cell_angle_beta   126.65
_cell_angle_gamma   74.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg3
_chemical_formula_sum   'Sr1 Hg3'
_cell_volume   112.46
_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
  Hg  Hg0  1  0.0  0.6  0.2  1.0
  Hg  Hg1  1  0.35  0.0  0.4  1.0
  Hg  Hg2  1  0.0  0.0  0.61  1.0

data_SrHg3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   5.2
_cell_length_c   5.79
_cell_angle_alpha   116.68
_cell_angle_beta   113.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg3
_chemical_formula_sum   'Sr1 Hg3'
_cell_volume   112.46
_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
  Hg  Hg1  1  0.0  0.4  0.05  1.0
  Hg  Hg2  1  0.0  0.61  0.61  1.0
  Hg  Hg3  1  0.4  0.6  0.6  1.0

Sr Hg Hg Hg