data_[Mn24Ru4]
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 [Pnma]
_cell_length_a [7.4291]
_cell_length_b [4.6063]
_cell_length_c [9.7942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Mn6Ru]
_chemical_formula_sum '[Mn24 Ru4]'
_cell_volume [335.1679]
_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  8  0.0871  0.5084  0.3123  1
  Mn  Mn1  4  0.0495  0.2500  0.0739  1
  Mn  Mn2  4  0.0891  0.7500  0.5166  1
  Mn  Mn3  4  0.1143  0.2500  0.8460  1
  Mn  Mn4  4  0.1826  0.7500  0.7375  1
  Ru  Ru5  4  0.2432  0.2500  0.5813  1
]