data_[Mn10Fe2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5301]
_cell_length_b [4.6121]
_cell_length_c [5.4511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn5FeOs]
_chemical_formula_sum '[Mn10 Fe2 Os2]'
_cell_volume [170.2683]
_cell_formula_units_Z [2]
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  0.1504  0.2324  0.7217  1
  Mn  Mn1  2  0.1339  0.0000  0.2077  1
  Mn  Mn2  2  0.3346  0.5000  0.6011  1
  Mn  Mn3  2  0.4505  0.0000  0.7916  1
  Fe  Fe4  2  0.3271  0.5000  0.1961  1
  Os  Os5  2  0.4530  0.0000  0.2294  1
]