data_[In1Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.0840]
_cell_length_b [18.4313]
_cell_length_c [6.5144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [InSn4]
_chemical_formula_sum '[In1 Sn4]'
_cell_volume [588.8251]
_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  0.4695  0.5000  0.2496  1
  Sn  Sn1  2  0.7793  0.4069  0.6317  1
  Sn  Sn2  1  0.2794  0.5000  0.6667  1
  Sn  Sn3  1  0.8841  0.5000  0.0167  1
]