data_[Tm4Hf6Zr2N12]
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 [5.6590]
_cell_length_b [9.8050]
_cell_length_c [5.6894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Hf3ZrN6]
_chemical_formula_sum '[Tm4 Hf6 Zr2 N12]'
_cell_volume [297.8058]
_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  4  0.0000  0.3333  0.0000  1.0
  Hf  Hf1  4  0.0000  0.1672  0.5000  1.0
  Hf  Hf2  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2454  0.3337  0.7351  1.0
  N  N5  4  0.2434  0.0000  0.7308  1.0
]