data_[Y9Cu3Ni24]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9805]
_cell_length_b [4.9805]
_cell_length_c [24.4629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y3CuNi8]
_chemical_formula_sum '[Y9 Cu3 Ni24]'
_cell_volume [525.5161]
_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  0.3775  1
  Y  Y1  3  0.0000  0.0000  0.5077  1
  Y  Y2  3  0.0000  0.0000  0.9890  1
  Cu  Cu3  3  0.0000  0.0000  0.8686  1
  Ni  Ni4  9  0.0031  0.5015  0.4394  1
  Ni  Ni5  9  0.0037  0.5018  0.9374  1
  Ni  Ni6  3  0.0000  0.0000  0.1886  1
  Ni  Ni7  3  0.0000  0.0000  0.6882  1
]