data_[Mn8Ir2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6858]
_cell_length_b [6.4801]
_cell_length_c [6.4895]
_cell_angle_alpha [88.8420]
_cell_angle_beta [69.5940]
_cell_angle_gamma [83.1767]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn4IrRu2]
_chemical_formula_sum '[Mn8 Ir2 Ru4]'
_cell_volume [183.3299]
_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  1  0.1358  0.5145  0.7639  1
  Mn  Mn1  1  0.1545  0.2875  0.1200  1
  Mn  Mn2  1  0.3400  0.9311  0.1956  1
  Mn  Mn3  1  0.4251  0.8072  0.5543  1
  Mn  Mn4  1  0.7159  0.0828  0.3413  1
  Mn  Mn5  1  0.7162  0.4378  0.5475  1
  Mn  Mn6  1  0.7319  0.3225  0.9913  1
  Mn  Mn7  1  0.9279  0.8009  0.5587  1
  Ru  Ru8  1  0.1254  0.1631  0.5492  1
  Ru  Ru9  1  0.3313  0.5145  0.3374  1
  Ru  Ru10  1  0.5222  0.6718  0.8997  1
  Ir  Ir11  1  0.5225  0.1088  0.7661  1
  Ru  Ru12  1  0.8652  0.6600  0.2032  1
  Ir  Ir13  1  0.9862  0.9474  0.9218  1
]