data_[Y6Zn4Cu18]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1615]
_cell_length_b [8.7952]
_cell_length_c [12.3301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y3Zn2Cu9]
_chemical_formula_sum '[Y6 Zn4 Cu18]'
_cell_volume [451.3052]
_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  0.0000  0.0000  0.2995  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.0000  0.2030  0.5000  1.0
  Cu  Cu3  8  0.0000  0.2836  0.1269  1.0
  Cu  Cu4  8  0.0000  0.3581  0.3298  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]