data_[Y6Ho6Ni8]
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 [Amm2]
_cell_length_a [3.9340]
_cell_length_b [10.5694]
_cell_length_c [10.5507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Y3Ho3Ni4]
_chemical_formula_sum '[Y6 Ho6 Ni8]'
_cell_volume [438.6982]
_cell_formula_units_Z [2]
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  0.5000  0.1655  0.5000  1
  Y  Y1  2  0.5000  0.0000  0.8343  1
  Ho  Ho2  4  0.0000  0.2492  0.2498  1
  Ho  Ho3  2  0.5000  0.0000  0.1649  1
  Ni  Ni4  4  0.0000  0.1231  0.0018  1
  Ni  Ni5  2  0.0000  0.0000  0.3738  1
  Ni  Ni6  2  0.0000  0.0000  0.6237  1
]