data_[La8Si4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0570]
_cell_length_b [6.8054]
_cell_length_c [8.7468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La4Si2N]
_chemical_formula_sum '[La8 Si4 N2]'
_cell_volume [399.0176]
_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  4  0.4871  0.5000  0.2531  1.0
  La  La1  2  0.0614  0.2500  0.3676  1.0
  La  La2  2  0.0720  0.2500  0.9166  1.0
  Si  Si3  2  0.2502  0.7500  0.4385  1.0
  Si  Si4  2  0.2790  0.7500  0.9445  1.0
  N  N5  2  0.2542  0.2500  0.1896  1.0
]