data_[Zr12Ru2Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ru  2.2000  1.3000  0.6610
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0810]
_cell_length_b [10.7592]
_cell_length_c [6.1011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr6RuRh]
_chemical_formula_sum '[Zr12 Ru2 Rh2]'
_cell_volume [350.6243]
_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
[
  Zr  Zr0  8  0.2485  0.7965  0.2524  1
  Zr  Zr1  4  0.2492  0.5000  0.2500  1
  Ru  Ru2  2  0.0000  0.5000  0.5000  1
  Rh  Rh3  2  0.0000  0.0000  0.0000  1
]