data_Sr2InHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.74
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2InHg
_chemical_formula_sum   'Sr2 In1 Hg1'
_cell_volume   146.12
_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  0.18  0.37  0.64  1.0
  Sr  Sr3  1  0.0  0.0  0.22  1.0
  In  In1  1  0.0  0.0  0.53  1.0
  Hg  Hg0  1  0.18  0.37  0.33  1.0

data_Sr2InHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.74
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2InHg
_chemical_formula_sum   'Sr2 In1 Hg1'
_cell_volume   146.12
_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  0.22  1.0
  Sr  Sr1  1  0.18  0.37  0.64  1.0
  In  In2  1  0.0  0.0  0.53  1.0
  Hg  Hg3  1  0.18  0.37  0.33  1.0

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