data_[Y2Cu4Si1Ge3]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0798]
_cell_length_b [4.0798]
_cell_length_c [10.0817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Y2Cu4SiGe3]
_chemical_formula_sum '[Y2 Cu4 Si1 Ge3]'
_cell_volume [167.8112]
_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
[
  Y  Y0  2  0.0000  0.5000  0.7511  1.0
  Cu  Cu1  2  0.0000  0.5000  0.3700  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  1  0.5000  0.5000  0.0000  1.0
  Si  Si4  1  0.5000  0.5000  0.5000  1.0
  Ge  Ge5  2  0.0000  0.5000  0.1344  1.0
  Ge  Ge6  1  0.0000  0.0000  0.5000  1.0
]