data_Sr2InHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.08
_cell_length_b   10.08
_cell_length_c   10.08
_cell_angle_alpha   24.02
_cell_angle_beta   24.02
_cell_angle_gamma   24.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2InHg
_chemical_formula_sum   'Sr2 In1 Hg1'
_cell_volume   149.16
_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  0.08  1.0
  Sr  Sr3  1  0.0  0.0  0.28  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.68  1.0

data_Sr2InHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.27
_cell_length_b   4.2
_cell_length_c   10.08
_cell_angle_alpha   90.0
_cell_angle_beta   103.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2InHg
_chemical_formula_sum   'Sr4 In2 Hg2'
_cell_volume   298.32
_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  -0.0  0.0  0.72  1.0
  Sr  Sr1  2  -0.0  0.0  0.92  1.0
  In  In2  2  0.0  0.0  0.0  1.0
  Hg  Hg3  2  -0.0  0.0  0.32  1.0

Sr Sr In Hg
Sr Sr In Hg 0 2 o o o 0 1 o o o 0 3 o o - 1 3 o o o 2 3 o o - 3 3 o + - 3 3 + - o 3 3 + o - 