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 [C2/m]
_cell_length_a [11.8392]
_cell_length_b [5.3812]
_cell_length_c [9.3948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3MgN]
_chemical_formula_sum '[La12 Mg4 N4]'
_cell_volume [552.2322]
_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  0.1088  0.0000  0.1865  1.0
  La  La1  4  0.1371  0.5000  0.9310  1.0
  La  La2  4  0.1425  0.0000  0.6831  1.0
  Mg  Mg3  4  0.1070  0.5000  0.4404  1.0
  N  N4  4  0.1232  0.0000  0.9276  1.0
]