data_[La4Mo2N8]
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 [P2_1/m]
_cell_length_a [6.0070]
_cell_length_b [6.0101]
_cell_length_c [7.1088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2MoN4]
_chemical_formula_sum '[La4 Mo2 N8]'
_cell_volume [242.0605]
_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  0.2251  0.2500  0.4398  1.0
  La  La1  2  0.3174  0.2500  0.9786  1.0
  Mo  Mo2  2  0.2397  0.7500  0.1978  1.0
  N  N3  4  0.4506  0.5076  0.2608  1.0
  N  N4  2  0.0282  0.7500  0.3406  1.0
  N  N5  2  0.0633  0.7500  0.9290  1.0
]