data_[La16As4P8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2384]
_cell_length_b [14.0892]
_cell_length_c [14.7279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La4AsP2N]
_chemical_formula_sum '[La16 As4 P8 N4]'
_cell_volume [879.4831]
_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  0.2626  0.1301  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  La  La2  4  0.0000  0.4342  0.7500  1.0
  As  As3  4  0.0000  0.1111  0.7500  1.0
  P  P4  8  0.0000  0.3678  0.5526  1.0
  N  N5  4  0.0000  0.1573  0.2500  1.0
]