data_[Tm2Hf6Mg4N12]
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
  Mg  1.3100  1.5000  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0251]
_cell_length_b [3.2219]
_cell_length_c [6.4601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmHf3Mg2N6]
_chemical_formula_sum '[Tm2 Hf6 Mg4 N12]'
_cell_volume [283.6807]
_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  0.1697  0.0000  0.8278  1.0
  Hf  Hf2  2  0.0000  0.5000  0.5000  1.0
  Mg  Mg3  4  0.1694  0.0000  0.3400  1.0
  N  N4  4  0.0034  0.0000  0.7399  1.0
  N  N5  4  0.1646  0.5000  0.5892  1.0
  N  N6  4  0.1713  0.5000  0.0750  1.0
]