data_[La8Cu2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.3876]
_cell_length_b [9.5204]
_cell_length_c [6.9584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [La4CuN]
_chemical_formula_sum '[La8 Cu2 N2]'
_cell_volume [356.9090]
_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  0.0000  0.2088  0.7991  1.0
  La  La1  2  0.0000  0.0000  0.2918  1.0
  La  La2  2  0.0000  0.5000  0.3672  1.0
  Cu  Cu3  2  0.0000  0.5000  0.9523  1.0
  N  N4  2  0.0000  0.0000  0.6254  1.0
]