data_[Zr2Mo2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mo  2.1600  1.4500  0.7750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6407]
_cell_length_b [2.9353]
_cell_length_c [4.7209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrMoRu2]
_chemical_formula_sum '[Zr2 Mo2 Ru4]'
_cell_volume [131.1539]
_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  2  0.0082  0.5000  0.5306  1
  Mo  Mo1  2  0.2291  0.5000  0.2000  1
  Ru  Ru2  2  0.2675  0.0000  0.7420  1
  Ru  Ru3  2  0.4951  0.5000  0.0274  1
]