data_[Mn10Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2063]
_cell_length_b [2.5576]
_cell_length_c [5.9489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn5Ru]
_chemical_formula_sum '[Mn10 Ru2]'
_cell_volume [135.5991]
_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
[
  Mn  Mn0  2  0.0517  0.0000  0.6006  1.0
  Mn  Mn1  2  0.1676  0.5000  0.3400  1.0
  Mn  Mn2  2  0.3384  0.0000  0.6612  1.0
  Mn  Mn3  2  0.3915  0.0000  0.2838  1.0
  Mn  Mn4  2  0.4978  0.5000  0.0070  1.0
  Ru  Ru5  2  0.2197  0.5000  0.9407  1.0
]