data_[La16Cu4N8]
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 [Cmcm]
_cell_length_a [3.7996]
_cell_length_b [12.5139]
_cell_length_c [13.2496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La4CuN2]
_chemical_formula_sum '[La16 Cu4 N8]'
_cell_volume [629.9887]
_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  8  0.0000  0.2317  0.6071  1.0
  La  La1  4  0.0000  0.0730  0.2500  1.0
  La  La2  4  0.0000  0.5000  0.0000  1.0
  Cu  Cu3  4  0.0000  0.3951  0.2500  1.0
  N  N4  8  0.0000  0.1397  0.0578  1.0
]