data_[Ho5Cu4Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4244]
_cell_length_b [3.4244]
_cell_length_c [17.3576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ho5Cu4Ru]
_chemical_formula_sum '[Ho5 Cu4 Ru1]'
_cell_volume [203.5421]
_cell_formula_units_Z [1]
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
[
  Ho  Ho0  2  0.5000  0.5000  0.0956  1
  Ho  Ho1  2  0.5000  0.5000  0.2984  1
  Ho  Ho2  1  0.5000  0.5000  0.5000  1
  Cu  Cu3  2  0.0000  0.0000  0.1992  1
  Cu  Cu4  2  0.0000  0.0000  0.4001  1
  Ru  Ru5  1  0.0000  0.0000  0.0000  1
]