data_[La2Y2Zr2N6]
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
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0012]
_cell_length_b [3.5097]
_cell_length_c [8.9571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaYZrN3]
_chemical_formula_sum '[La2 Y2 Zr2 N6]'
_cell_volume [184.1371]
_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  2  0.3489  0.2500  0.3049  1.0
  Y  Y1  2  0.2318  0.7500  0.9556  1.0
  Zr  Zr2  2  0.1377  0.2500  0.6426  1.0
  N  N3  2  0.0419  0.7500  0.1650  1.0
  N  N4  2  0.2258  0.7500  0.5205  1.0
  N  N5  2  0.4409  0.2500  0.8289  1.0
]