data_[Tb2Tm4Hf6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Hf  1.3000  1.5500  0.8500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6986]
_cell_length_b [9.8842]
_cell_length_c [5.7754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbTm2Hf3N6]
_chemical_formula_sum '[Tb2 Tm4 Hf6 N12]'
_cell_volume [306.9184]
_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
  Tm  Tm1  4  0.0000  0.3332  0.0000  1.0
  Hf  Hf2  4  0.0000  0.1674  0.5000  1.0
  Hf  Hf3  2  0.0000  0.5000  0.5000  1.0
  N  N4  8  0.2406  0.3309  0.7290  1.0
  N  N5  4  0.2475  0.0000  0.7284  1.0
]