data_[Y8Mg12N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4115]
_cell_length_b [7.2507]
_cell_length_c [6.0669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Mg3N4]
_chemical_formula_sum '[Y8 Mg12 N16]'
_cell_volume [501.6525]
_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
[
  Y  Y0  8  0.2443  0.3824  0.7190  1
  Mg  Mg1  8  0.0590  0.1427  0.9381  1
  Mg  Mg2  4  0.0000  0.4623  0.2500  1
  N  N3  8  0.1271  0.1005  0.6063  1
  N  N4  8  0.1284  0.3928  0.0338  1
]