data_[Li9Er3Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8107]
_cell_length_b [4.8107]
_cell_length_c [23.5120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li3ErNi8]
_chemical_formula_sum '[Li9 Er3 Ni24]'
_cell_volume [471.2416]
_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  0.5092  1.0
  Li  Li1  3  0.0000  0.0000  0.6256  1.0
  Li  Li2  3  0.0000  0.0000  0.9945  1.0
  Er  Er3  3  0.0000  0.0000  0.1247  1.0
  Ni  Ni4  9  0.0014  0.5007  0.5635  1.0
  Ni  Ni5  9  0.1671  0.3343  0.3937  1.0
  Ni  Ni6  3  0.0000  0.0000  0.3118  1.0
  Ni  Ni7  3  0.0000  0.0000  0.8126  1.0
]