data_[Mn12Rh4N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.1179]
_cell_length_b [5.2247]
_cell_length_c [9.0378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mn12Rh4N]
_chemical_formula_sum '[Mn12 Rh4 N1]'
_cell_volume [194.4479]
_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  4  0.2356  0.2581  0.0865  1.0
  Mn  Mn1  4  0.2495  0.2665  0.5784  1.0
  Mn  Mn2  2  0.2367  0.0000  0.8296  1.0
  Mn  Mn3  2  0.2484  0.5000  0.3420  1.0
  Rh  Rh4  2  0.2516  0.0000  0.3378  1.0
  Rh  Rh5  2  0.2557  0.5000  0.8282  1.0
  N  N6  1  0.5000  0.0000  0.0000  1.0
]