data_[La2Mg2N6]
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 [P-1]
_cell_length_a [3.6510]
_cell_length_b [5.6989]
_cell_length_c [6.8299]
_cell_angle_alpha [80.0309]
_cell_angle_beta [81.9392]
_cell_angle_gamma [89.3183]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaMgN3]
_chemical_formula_sum '[La2 Mg2 N6]'
_cell_volume [138.5668]
_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
[
  La  La0  2  0.3291  0.4598  0.7681  1.0
  Mg  Mg1  2  0.2075  0.0535  0.1603  1.0
  N  N2  2  0.1218  0.7524  0.4313  1.0
  N  N3  2  0.1435  0.2789  0.4319  1.0
  N  N4  2  0.2630  0.7708  0.9728  1.0
]