data_[In2Cu2Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.0246]
_cell_length_b [4.1749]
_cell_length_c [6.4600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [InCuSn]
_chemical_formula_sum '[In2 Cu2 Sn2]'
_cell_volume [134.4773]
_cell_formula_units_Z [2]
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  0.8199  0.5000  0.0080  1.0
  In  In1  1  0.9582  0.5000  0.4663  1.0
  Cu  Cu2  1  0.4801  0.5000  0.6366  1.0
  Cu  Cu3  1  0.7784  0.0000  0.7077  1.0
  Sn  Sn4  1  0.2959  0.0000  0.8684  1.0
  Sn  Sn5  1  0.4159  0.0000  0.3500  1.0
]