data_[Mn10Si2Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2261]
_cell_length_b [5.9723]
_cell_length_c [12.6660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mn5SiRu6]
_chemical_formula_sum '[Mn10 Si2 Ru12]'
_cell_volume [319.6853]
_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  4  0.0000  0.0000  0.3343  1
  Mn  Mn1  4  0.0000  0.5000  0.3298  1
  Mn  Mn2  2  0.0000  0.5000  0.0000  1
  Si  Si3  2  0.0000  0.0000  0.0000  1
  Ru  Ru4  8  0.0000  0.2461  0.1642  1
  Ru  Ru5  4  0.0000  0.2571  0.5000  1
]