data_[Y4Ho24Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.9075]
_cell_length_b [12.9269]
_cell_length_c [7.0339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y(Ho2Ni)3]
_chemical_formula_sum '[Y4 Ho24 Ni12]'
_cell_volume [991.7802]
_cell_formula_units_Z [4]
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  4  0.0000  0.3196  0.9539  1
  Ho  Ho1  8  0.1671  0.4629  0.3295  1
  Ho  Ho2  8  0.2269  0.1915  0.1823  1
  Ho  Ho3  4  0.0000  0.0313  0.8346  1
  Ho  Ho4  4  0.0000  0.2267  0.4908  1
  Ni  Ni5  8  0.1952  0.1070  0.5460  1
  Ni  Ni6  4  0.0000  0.4181  0.6199  1
]