data_[Mg4Cr4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.6591]
_cell_length_b [6.5500]
_cell_length_c [5.1464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [MgCrN2]
_chemical_formula_sum '[Mg4 Cr4 N8]'
_cell_volume [190.7612]
_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
[
  Mg  Mg0  4  0.0922  0.6215  0.9956  1.0
  Cr  Cr1  4  0.0743  0.1281  0.0034  1.0
  N  N2  4  0.0597  0.1055  0.3624  1.0
  N  N3  4  0.1058  0.6441  0.4086  1.0
]