data_[Y4In6Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6827]
_cell_length_b [4.2659]
_cell_length_c [7.0683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2In3Si2]
_chemical_formula_sum '[Y4 In6 Si4]'
_cell_volume [316.9438]
_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
[
  Y  Y0  4  0.1208  0.5000  0.3319  1.0
  In  In1  4  0.1951  0.5000  0.8486  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Si  Si3  4  0.0929  0.0000  0.6164  1.0
]