data_[Mn1Ir6Ru2]
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 [P2/m]
_cell_length_a [5.5217]
_cell_length_b [3.7526]
_cell_length_c [7.1183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mn(Ir3Ru)2]
_chemical_formula_sum '[Mn1 Ir6 Ru2]'
_cell_volume [138.3917]
_cell_formula_units_Z [1]
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  0.5000  0.0000  0.5000  1
  Ir  Ir1  2  0.0895  0.0000  0.2052  1
  Ru  Ru2  2  0.2311  0.5000  0.9907  1
  Ir  Ir3  2  0.2320  0.5000  0.5365  1
  Ir  Ir4  2  0.4040  0.0000  0.8088  1
]