data_InSn3
_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   117.04
_cell_angle_beta   117.04
_cell_angle_gamma   117.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn3
_chemical_formula_sum   'In1 Sn3'
_cell_volume   109.92
_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  0.31  0.45  0.1  1.0
  Sn  Sn2  1  0.69  0.45  0.1  1.0
  Sn  Sn3  1  0.0  0.11  0.1  1.0

data_InSn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   117.04
_cell_angle_beta   100.02
_cell_angle_gamma   100.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn3
_chemical_formula_sum   'In1 Sn3'
_cell_volume   109.92
_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  0.1  0.79  0.65  1.0
  Sn  Sn2  1  0.1  0.41  0.65  1.0
  Sn  Sn3  1  0.1  0.1  0.99  1.0

In Sn Sn Sn