data_[Zr4Mn4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.3830]
_cell_length_b [4.4415]
_cell_length_c [7.3905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ZrMnN2]
_chemical_formula_sum '[Zr4 Mn4 N8]'
_cell_volume [209.5227]
_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
[
  Zr  Zr0  4  0.0949  0.7500  0.8703  1.0
  Mn  Mn1  4  0.0782  0.7500  0.3730  1.0
  N  N2  4  0.0718  0.2500  0.3789  1.0
  N  N3  4  0.0825  0.2500  0.8783  1.0
]