data_[Mn8Ru4]
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 [C2/m]
_cell_length_a [9.2958]
_cell_length_b [2.6203]
_cell_length_c [6.1054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Ru]
_chemical_formula_sum '[Mn8 Ru4]'
_cell_volume [143.6870]
_cell_formula_units_Z [4]
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  4  0.0314  0.0000  0.2866  1.0
  Mn  Mn1  4  0.1364  0.5000  0.0262  1.0
  Ru  Ru2  4  0.1874  0.5000  0.6402  1.0
]