data_[La10Y2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1027]
_cell_length_b [3.6428]
_cell_length_c [7.5884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5YN4]
_chemical_formula_sum '[La10 Y2 N8]'
_cell_volume [434.8857]
_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  0.1542  0.0000  0.2991  1.0
  La  La1  4  0.1619  0.0000  0.8463  1.0
  La  La2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  2  0.0000  0.5000  0.0000  1.0
  N  N4  4  0.0003  0.0000  0.2344  1.0
  N  N5  4  0.1584  0.5000  0.0745  1.0
]