data_[Y4Zr6Sc2N12]
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
  Sc  1.3600  1.6000  0.8850
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7269]
_cell_length_b [9.9321]
_cell_length_c [5.7818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Zr3ScN6]
_chemical_formula_sum '[Y4 Zr6 Sc2 N12]'
_cell_volume [310.1705]
_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  4  0.0000  0.3333  0.0000  1.0
  Zr  Zr1  4  0.0000  0.1646  0.5000  1.0
  Zr  Zr2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2492  0.8381  0.2611  1.0
  N  N5  4  0.2371  0.0000  0.7385  1.0
]