data_[La6Se4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6596]
_cell_length_b [7.6217]
_cell_length_c [7.4914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La3(SeN)2]
_chemical_formula_sum '[La6 Se4 N4]'
_cell_volume [343.4985]
_cell_formula_units_Z [2]
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  0.3859  0.1076  0.7511  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.2007  0.6615  0.9120  1
  N  N3  4  0.3377  0.1157  0.0619  1
]