data_[Li3Ho6Si9Ni36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3340]
_cell_length_b [8.3340]
_cell_length_c [11.8120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiHo2(SiNi4)3]
_chemical_formula_sum '[Li3 Ho6 Si9 Ni36]'
_cell_volume [710.4933]
_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  0.0000  1
  Ho  Ho1  6  0.0000  0.0000  0.3481  1
  Si  Si2  9  0.0000  0.5000  0.5000  1
  Ni  Ni3  18  0.0126  0.5063  0.6927  1
  Ni  Ni4  18  0.0129  0.5065  0.8909  1
]