data_[La16P4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9282]
_cell_length_b [15.8975]
_cell_length_c [6.8235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4PN]
_chemical_formula_sum '[La16 P4 N4]'
_cell_volume [709.0842]
_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  0.2049  0.1777  0.7359  1.0
  La  La1  8  0.2229  0.0550  0.2258  1.0
  P  P2  4  0.0000  0.4285  0.2500  1.0
  N  N3  4  0.0000  0.0622  0.7500  1.0
]