data_[La12Mg4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4394]
_cell_length_b [7.4287]
_cell_length_c [6.3181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La3MgN]
_chemical_formula_sum '[La12 Mg4 N4]'
_cell_volume [552.0650]
_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
[
  La  La0  4  0.1962  0.2355  0.6397  1.0
  La  La1  4  0.4558  0.2445  0.1099  1.0
  La  La2  2  0.2078  0.0000  0.1390  1.0
  La  La3  2  0.4428  0.5000  0.5709  1.0
  Mg  Mg4  2  0.2016  0.5000  0.1182  1.0
  Mg  Mg5  2  0.4434  0.0000  0.6476  1.0
  N  N6  2  0.0788  0.0000  0.3694  1.0
  N  N7  2  0.3292  0.0000  0.8660  1.0
]