data_[Mn4Ir16Ru4]
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 [Cmc2_1]
_cell_length_a [2.7407]
_cell_length_b [14.0687]
_cell_length_c [8.7923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MnIr4Ru]
_chemical_formula_sum '[Mn4 Ir16 Ru4]'
_cell_volume [339.0184]
_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  4  0.0000  0.3330  0.2690  1.0
  Ir  Ir1  4  0.0000  0.0029  0.7673  1.0
  Ir  Ir2  4  0.0000  0.1144  0.5221  1.0
  Ru  Ru3  4  0.0000  0.2221  0.0188  1.0
  Ir  Ir4  4  0.0000  0.3278  0.7680  1.0
  Ir  Ir5  4  0.0000  0.4435  0.5159  1.0
]