data_[La8Mo8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9130]
_cell_length_b [10.1336]
_cell_length_c [6.3821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaMoN3]
_chemical_formula_sum '[La8 Mo8 N24]'
_cell_volume [668.8811]
_cell_formula_units_Z [8]
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  0.0000  0.0925  0.7500  1.0
  La  La1  4  0.0000  0.3134  0.2500  1.0
  Mo  Mo2  8  0.2093  0.4107  0.7503  1.0
  N  N3  8  0.1134  0.1120  0.1538  1.0
  N  N4  8  0.1320  0.2577  0.6450  1.0
  N  N5  8  0.1505  0.4814  0.9903  1.0
]