data_[Mn84Pt8N24]
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 [Fm-3m]
_cell_length_a [10.5161]
_cell_length_b [10.5161]
_cell_length_c [10.5161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Mn21(PtN3)2]
_chemical_formula_sum '[Mn84 Pt8 N24]'
_cell_volume [1162.9430]
_cell_formula_units_Z [4]
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  48  0.0000  0.1640  0.1640  1
  Mn  Mn1  32  0.1130  0.1130  0.3870  1
  Mn  Mn2  4  0.0000  0.0000  0.0000  1
  Pt  Pt3  8  0.2500  0.2500  0.2500  1
  N  N4  24  0.0000  0.0000  0.2740  1
]