data_[Y4Cu4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0109]
_cell_length_b [4.0109]
_cell_length_c [14.1387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [YCuSi]
_chemical_formula_sum '[Y4 Cu4 Si4]'
_cell_volume [227.4541]
_cell_formula_units_Z [4]
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  2  0.0000  0.0000  0.5000  1.0
  Y  Y1  2  0.0000  0.5000  0.7500  1.0
  Si  Si2  4  0.0000  0.0000  0.0843  1.0
  Cu  Cu3  4  0.0000  0.5000  0.1647  1.0
]