data_[Mg10Mn4N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.3009]
_cell_length_b [7.3009]
_cell_length_c [4.9942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Mg5Mn2N5]
_chemical_formula_sum '[Mg10 Mn4 N10]'
_cell_volume [266.2041]
_cell_formula_units_Z [2]
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  8  0.1907  0.1907  0.3303  1
  Mg  Mg1  2  0.0000  0.0000  0.8759  1
  Mn  Mn2  4  0.0000  0.5000  0.2578  1
  N  N3  8  0.0000  0.2959  0.0037  1
  N  N4  2  0.0000  0.0000  0.4654  1
]