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 [P2_1/m]
_cell_length_a [3.7271]
_cell_length_b [4.0552]
_cell_length_c [8.7958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InCuSn]
_chemical_formula_sum '[In2 Cu2 Sn2]'
_cell_volume [130.6057]
_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  2  0.2922  0.7500  0.0919  1.0
  Cu  Cu1  2  0.4530  0.7500  0.4071  1.0
  Sn  Sn2  2  0.0831  0.7500  0.6587  1.0
]