data_[Li3Y9Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9917]
_cell_length_b [4.9917]
_cell_length_c [24.4910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiY3Ni8]
_chemical_formula_sum '[Li3 Y9 Ni24]'
_cell_volume [528.4931]
_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
[
  Li  Li0  3  0.0000  0.0000  0.1299  1.0
  Y  Y1  3  0.0000  0.0000  0.0089  1.0
  Y  Y2  3  0.0000  0.0000  0.4931  1.0
  Y  Y3  3  0.0000  0.0000  0.6223  1.0
  Ni  Ni4  9  0.0004  0.5002  0.5615  1.0
  Ni  Ni5  9  0.1688  0.3376  0.3958  1.0
  Ni  Ni6  3  0.0000  0.0000  0.3122  1.0
  Ni  Ni7  3  0.0000  0.0000  0.8117  1.0
]