data_[Tb2Ce4Sm6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1712]
_cell_length_b [10.6887]
_cell_length_c [6.1702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbCe2Sm3N6]
_chemical_formula_sum '[Tb2 Ce4 Sm6 N12]'
_cell_volume [383.7475]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  4  0.0000  0.3332  0.0000  1.0
  Sm  Sm2  4  0.0000  0.1662  0.5000  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  N  N4  8  0.2481  0.1681  0.2400  1.0
  N  N5  4  0.2445  0.5000  0.2415  1.0
]