data_[Mn2Ir6Ru1]
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 [P-1]
_cell_length_a [4.7021]
_cell_length_b [4.7030]
_cell_length_c [6.7701]
_cell_angle_alpha [82.9350]
_cell_angle_beta [76.2602]
_cell_angle_gamma [60.0666]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn2Ir6Ru]
_chemical_formula_sum '[Mn2 Ir6 Ru1]'
_cell_volume [126.0290]
_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  2  0.4415  0.1729  0.1694  1
  Ir  Ir1  2  0.1156  0.8358  0.1633  1
  Ir  Ir2  2  0.2256  0.4960  0.8362  1
  Ir  Ir3  2  0.3371  0.8350  0.4949  1
  Ru  Ru4  1  0.0000  0.5000  0.5000  1
]