data_[In7Sn4]
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 [P6mm]
_cell_length_a [8.0636]
_cell_length_b [8.0636]
_cell_length_c [19.2648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [In7Sn4]
_chemical_formula_sum '[In7 Sn4]'
_cell_volume [1084.8169]
_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  6  0.2082  0.4164  0.4658  1
  In  In1  1  0.0000  0.0000  0.3710  1
  Sn  Sn2  3  0.0000  0.5000  0.5924  1
  Sn  Sn3  1  0.0000  0.0000  0.5570  1
]