data_[Hf2Zr4Si4Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.8606]
_cell_length_b [9.8606]
_cell_length_c [3.2959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [HfZr2Si2Ru5]
_chemical_formula_sum '[Hf2 Zr4 Si4 Ru10]'
_cell_volume [320.4597]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.0000  1.0
  Zr  Zr1  4  0.1734  0.6734  0.0000  1.0
  Si  Si2  4  0.1251  0.3749  0.0000  1.0
  Ru  Ru3  8  0.0692  0.2121  0.5000  1.0
  Ru  Ru4  2  0.0000  0.5000  0.5000  1.0
]