data_[Mn12Pt4N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.1979]
_cell_length_b [5.2637]
_cell_length_c [9.3067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mn12Pt4N]
_chemical_formula_sum '[Mn12 Pt4 N1]'
_cell_volume [205.6443]
_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  0.2403  0.2578  0.9140  1.0
  Mn  Mn1  4  0.2479  0.2728  0.4276  1.0
  Mn  Mn2  2  0.2353  0.0000  0.1706  1.0
  Mn  Mn3  2  0.2475  0.5000  0.6454  1.0
  Pt  Pt4  2  0.2524  0.0000  0.6585  1.0
  Pt  Pt5  2  0.2538  0.5000  0.1774  1.0
  N  N6  1  0.5000  0.0000  0.0000  1.0
]