data_[La4P4H4N12]
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
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3616]
_cell_length_b [5.9955]
_cell_length_c [5.7888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPHN3]
_chemical_formula_sum '[La4 P4 H4 N12]'
_cell_volume [338.1632]
_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  0.2236  0.5000  0.2710  1.0
  P  P1  4  0.0508  0.0000  0.2165  1.0
  H  H2  4  0.0000  0.2372  0.5000  1.0
  N  N3  8  0.0922  0.2206  0.3894  1.0
  N  N4  4  0.1158  0.0000  0.9849  1.0
]