data_[Sr6Mn6Ru9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5746]
_cell_length_b [4.5746]
_cell_length_c [24.5845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr2Mn2Ru3]
_chemical_formula_sum '[Sr6 Mn6 Ru9]'
_cell_volume [445.5437]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.2320  1
  Sr  Sr1  3  0.0000  0.0000  0.7606  1
  Mn  Mn2  3  0.0000  0.0000  0.5212  1
  Mn  Mn3  3  0.0000  0.0000  0.9925  1
  Ru  Ru4  3  0.0000  0.0000  0.3446  1
  Ru  Ru5  3  0.0000  0.0000  0.6389  1
  Ru  Ru6  3  0.0000  0.0000  0.8851  1
]