data_[Mn84As8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4416]
_cell_length_b [10.4416]
_cell_length_c [10.4416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Mn21(AsN3)2]
_chemical_formula_sum '[Mn84 As8 N24]'
_cell_volume [1138.4250]
_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  0.1648  0.1648  1
  Mn  Mn1  32  0.1181  0.1181  0.3819  1
  Mn  Mn2  4  0.0000  0.0000  0.0000  1
  As  As3  8  0.2500  0.2500  0.2500  1
  N  N4  24  0.0000  0.0000  0.2747  1
]