data_InSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   146.15
_cell_angle_beta   128.95
_cell_angle_gamma   62.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn2Hg
_chemical_formula_sum   'In1 Sn2 Hg1'
_cell_volume   107.46
_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
  In  In1  1  0.0  0.0  0.03  1.0
  Sn  Sn2  1  0.84  0.0  0.01  1.0
  Sn  Sn3  1  0.0  0.0  0.72  1.0
  Hg  Hg0  1  0.0  0.72  0.01  1.0

data_InSn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.43
_cell_length_c   6.31
_cell_angle_alpha   115.53
_cell_angle_beta   106.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn2Hg
_chemical_formula_sum   'In1 Sn2 Hg1'
_cell_volume   107.46
_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
  In  In0  1  0.97  0.97  0.97  1.0
  Sn  Sn1  1  0.28  0.28  0.28  1.0
  Sn  Sn2  1  0.83  0.99  0.83  1.0
  Hg  Hg3  1  0.99  0.71  0.71  1.0

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