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 [P2_1/c]
_cell_length_a [9.1609]
_cell_length_b [6.6306]
_cell_length_c [10.2398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La3MgN]
_chemical_formula_sum '[La12 Mg4 N4]'
_cell_volume [558.6743]
_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  0.0622  0.5754  0.8572  1
  La  La1  4  0.1945  0.0833  0.0445  1
  La  La2  4  0.3247  0.6290  0.2520  1
  Mg  Mg3  4  0.4298  0.1674  0.4091  1
  N  N4  4  0.0625  0.7487  0.5935  1
]