data_[La8Sb6N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7705]
_cell_length_b [4.3253]
_cell_length_c [10.6222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Sb3N2]
_chemical_formula_sum '[La8 Sb6 N4]'
_cell_volume [548.6767]
_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  0.1228  0.0000  0.3933  1.0
  La  La1  4  0.1967  0.5000  0.1619  1.0
  Sb  Sb2  4  0.0854  0.5000  0.6618  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
  N  N4  4  0.1970  0.5000  0.3650  1.0
]