data_[Zr4Mn4Al2Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.5334]
_cell_length_b [9.5334]
_cell_length_c [3.4024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Zr2Mn2AlRu5]
_chemical_formula_sum '[Zr4 Mn4 Al2 Ru10]'
_cell_volume [309.2252]
_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  4  0.1732  0.3268  0.0000  1
  Mn  Mn1  4  0.1286  0.6286  0.0000  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  8  0.0643  0.7968  0.5000  1
  Ru  Ru4  2  0.0000  0.5000  0.5000  1
]