data_[Tm2Hf6Zr4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hf  1.3000  1.5500  0.8500
  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 [14.2133]
_cell_length_b [3.2434]
_cell_length_c [6.5313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmHf3Zr2N6]
_chemical_formula_sum '[Tm2 Hf6 Zr4 N12]'
_cell_volume [292.4954]
_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
[
  Tm  Tm0  2  0.0000  0.5000  0.0000  1.0
  Hf  Hf1  4  0.1675  0.0000  0.8309  1.0
  Hf  Hf2  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr3  4  0.1695  0.0000  0.3394  1.0
  N  N4  4  0.0022  0.0000  0.7404  1.0
  N  N5  4  0.1620  0.5000  0.5922  1.0
  N  N6  4  0.1702  0.5000  0.0753  1.0
]