data_SrHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   6.73
_cell_angle_alpha   116.28
_cell_angle_beta   116.28
_cell_angle_gamma   34.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg2
_chemical_formula_sum   'Sr2 Hg4'
_cell_volume   183.64
_cell_formula_units_Z   2
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  Sr4  1  0.66  0.0  0.97  1.0
  Sr  Sr5  1  0.37  0.0  0.0  1.0
  Hg  Hg0  1  0.8  0.0  0.47  1.0
  Hg  Hg1  1  0.51  0.0  0.8  1.0
  Hg  Hg2  1  0.51  0.0  0.17  1.0
  Hg  Hg3  1  0.23  0.0  0.5  1.0

data_SrHg2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.35
_cell_length_b   6.73
_cell_length_c   7.4
_cell_angle_alpha   116.28
_cell_angle_beta   107.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrHg2
_chemical_formula_sum   'Sr2 Hg4'
_cell_volume   183.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.48  0.64  1.0
  Hg  Hg1  2  0.0  0.01  0.22  1.0
  Hg  Hg2  2  0.0  0.31  0.5  1.0

Sr Sr Hg Hg Hg Hg