data_[Y2Zn1Cu4Si3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0136]
_cell_length_b [4.0136]
_cell_length_c [10.0807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Y2ZnCu4Si3]
_chemical_formula_sum '[Y2 Zn1 Cu4 Si3]'
_cell_volume [162.3866]
_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  0.7570  1.0
  Zn  Zn1  1  0.5000  0.5000  0.5000  1.0
  Si  Si2  2  0.0000  0.5000  0.1328  1.0
  Cu  Cu3  2  0.0000  0.5000  0.3624  1.0
  Cu  Cu4  1  0.0000  0.0000  0.0000  1.0
  Si  Si5  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu6  1  0.5000  0.5000  0.0000  1.0
]