data_[Mg4Sb4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.4525]
_cell_length_b [7.8478]
_cell_length_c [5.6068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [MgSbN]
_chemical_formula_sum '[Mg4 Sb4 N4]'
_cell_volume [241.0441]
_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  0.2578  0.4002  0.3064  1
  Sb  Sb1  4  0.2418  0.1613  0.7160  1
  N  N2  4  0.3519  0.3678  0.0152  1
]