data_[Y9In3Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0152]
_cell_length_b [5.0152]
_cell_length_c [24.7014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y3InNi8]
_chemical_formula_sum '[Y9 In3 Ni24]'
_cell_volume [538.0478]
_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  0.3764  1.0
  Y  Y1  3  0.0000  0.0000  0.5038  1.0
  Y  Y2  3  0.0000  0.0000  0.9953  1.0
  In  In3  3  0.0000  0.0000  0.8726  1.0
  Ni  Ni4  9  0.0009  0.5005  0.4378  1.0
  Ni  Ni5  9  0.0022  0.5011  0.9375  1.0
  Ni  Ni6  3  0.0000  0.0000  0.1879  1.0
  Ni  Ni7  3  0.0000  0.0000  0.6880  1.0
]