data_[Mn4Zn4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.4634]
_cell_length_b [6.2601]
_cell_length_c [5.2066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [MnZnN2]
_chemical_formula_sum '[Mn4 Zn4 N8]'
_cell_volume [178.0721]
_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  4  0.0720  0.6267  0.0053  1.0
  Zn  Zn1  4  0.0888  0.1203  0.0084  1.0
  N  N2  4  0.0638  0.6080  0.3545  1.0
  N  N3  4  0.1091  0.1435  0.4017  1.0
]