data_[Ce4Sm2Zr6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  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 [14.9417]
_cell_length_b [3.3768]
_cell_length_c [6.8826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2SmZr3N6]
_chemical_formula_sum '[Ce4 Sm2 Zr6 N12]'
_cell_volume [335.9926]
_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
[
  Ce  Ce0  4  0.1670  0.0000  0.3338  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Zr  Zr2  4  0.1659  0.0000  0.8333  1.0
  Zr  Zr3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0047  0.0000  0.7338  1.0
  N  N5  4  0.1603  0.5000  0.5989  1.0
  N  N6  4  0.1728  0.5000  0.0707  1.0
]