data_[Y2Zr10N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [14.1730]
_cell_length_b [3.3421]
_cell_length_c [6.7199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YZr5N4]
_chemical_formula_sum '[Y2 Zr10 N8]'
_cell_volume [308.1212]
_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
[
  Y  Y0  2  0.0000  0.5000  0.0000  1.0
  Zr  Zr1  4  0.1638  0.0000  0.8486  1.0
  Zr  Zr2  4  0.1702  0.0000  0.3181  1.0
  Zr  Zr3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0052  0.0000  0.2651  1.0
  N  N5  4  0.1717  0.5000  0.0879  1.0
]