data_[Mn6Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4761]
_cell_length_b [2.6697]
_cell_length_c [6.2143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnOs]
_chemical_formula_sum '[Mn6 Os6]'
_cell_volume [152.4926]
_cell_formula_units_Z [6]
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  0.3331  0.0000  0.6682  1.0
  Mn  Mn1  2  0.3914  0.0000  0.2736  1.0
  Mn  Mn2  2  0.4979  0.5000  0.0020  1.0
  Os  Os3  2  0.0482  0.0000  0.6118  1.0
  Os  Os4  2  0.1690  0.5000  0.3325  1.0
  Os  Os5  2  0.2271  0.5000  0.9453  1.0
]