data_[Y6Zn48Cu3]
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 [R3m]
_cell_length_a [8.9488]
_cell_length_b [8.9488]
_cell_length_c [13.1440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y2Zn16Cu]
_chemical_formula_sum '[Y6 Zn48 Cu3]'
_cell_volume [911.5733]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3357  1
  Y  Y1  3  0.0000  0.0000  0.6664  1
  Zn  Zn2  18  0.0396  0.3729  0.6662  1
  Zn  Zn3  9  0.0058  0.5029  0.4999  1
  Zn  Zn4  9  0.0063  0.5031  0.1519  1
  Zn  Zn5  9  0.1719  0.3438  0.1819  1
  Zn  Zn6  3  0.0000  0.0000  0.0988  1
  Cu  Cu7  3  0.0000  0.0000  0.9009  1
]