data_InSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   132.0
_cell_angle_beta   132.0
_cell_angle_gamma   70.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn2Hg
_chemical_formula_sum   'In1 Sn2 Hg1'
_cell_volume   107.51
_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  0.0  1.0
  Sn  Sn2  1  0.37  0.0  0.39  1.0
  Sn  Sn3  1  0.0  0.0  0.77  1.0
  Hg  Hg0  1  0.0  0.37  0.39  1.0

data_InSn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.83
_cell_angle_alpha   114.0
_cell_angle_beta   114.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn2Hg
_chemical_formula_sum   'In1 Sn2 Hg1'
_cell_volume   107.51
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.39  0.01  0.01  1.0
  Sn  Sn2  1  0.77  0.77  0.77  1.0
  Hg  Hg3  1  0.01  0.39  0.01  1.0

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