data_[Y1Zn3Cu8]
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 [P3m1]
_cell_length_a [4.9525]
_cell_length_b [4.9525]
_cell_length_c [8.0148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [YZn3Cu8]
_chemical_formula_sum '[Y1 Zn3 Cu8]'
_cell_volume [170.2408]
_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  1  0.0000  0.0000  0.4348  1.0
  Zn  Zn1  1  0.0000  0.0000  0.0409  1.0
  Zn  Zn2  1  0.6667  0.3333  0.6025  1.0
  Zn  Zn3  1  0.6667  0.3333  0.9441  1.0
  Cu  Cu4  3  0.1648  0.8352  0.7555  1.0
  Cu  Cu5  3  0.5035  0.0071  0.2380  1.0
  Cu  Cu6  1  0.3333  0.6667  0.4982  1.0
  Cu  Cu7  1  0.3333  0.6667  0.9993  1.0
]