data_[La8Cr4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3295]
_cell_length_b [14.3084]
_cell_length_c [10.1455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2CrMoN5]
_chemical_formula_sum '[La8 Cr4 Mo4 N20]'
_cell_volume [483.3250]
_cell_formula_units_Z [4]
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  0.1229  0.6874  1
  La  La1  4  0.0000  0.1341  0.3104  1
  Cr  Cr2  4  0.0000  0.4431  0.4506  1
  Mo  Mo3  4  0.0000  0.2055  0.0146  1
  N  N4  4  0.0000  0.0451  0.0297  1
  N  N5  4  0.0000  0.2977  0.6499  1
  N  N6  4  0.0000  0.3193  0.3764  1
  N  N7  4  0.0000  0.3371  0.0049  1
  N  N8  4  0.0000  0.4972  0.3001  1
]