data_[La4P4N8]
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 [7.0212]
_cell_length_b [6.3746]
_cell_length_c [7.0001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaPN2]
_chemical_formula_sum '[La4 P4 N8]'
_cell_volume [281.6888]
_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  0.1495  0.2500  1.0
  P  P1  4  0.0000  0.3445  0.7500  1.0
  N  N2  8  0.1211  0.2087  0.6425  1.0
]