data_[Li9Ho6Cu36Si3]
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
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2137]
_cell_length_b [5.2137]
_cell_length_c [34.9725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li3Ho2Cu12Si]
_chemical_formula_sum '[Li9 Ho6 Cu36 Si3]'
_cell_volume [823.2883]
_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  9  0.0000  0.5000  0.5000  1
  Ho  Ho1  6  0.0000  0.0000  0.3548  1
  Cu  Cu2  18  0.0012  0.5006  0.6118  1
  Cu  Cu3  18  0.0139  0.5070  0.1095  1
  Si  Si4  3  0.0000  0.0000  0.0000  1
]