data_SrSiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   145.13
_cell_angle_beta   145.13
_cell_angle_gamma   50.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSiHg
_chemical_formula_sum   'Sr1 Si1 Hg1'
_cell_volume   77.22
_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  Sr2  1  0.0  0.0  0.74  1.0
  Si  Si1  1  0.0  0.0  0.25  1.0
  Hg  Hg0  1  0.0  0.0  0.23  1.0

data_SrSiHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   115.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrSiHg
_chemical_formula_sum   'Sr2 Si2 Hg2'
_cell_volume   154.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.24  0.5  0.74  1.0
  Si  Si1  2  0.25  0.0  0.25  1.0
  Hg  Hg2  2  0.23  0.0  0.23  1.0

Sr Si Hg
Sr Si Hg 0 0 + o + 0 0 o + + 0 2 o o o 0 2 o o + 0 1 o o o 0 1 o o + 1 2 o o o 