data_[Tm2Hf2Ta2N6]
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
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5796]
_cell_length_b [3.2098]
_cell_length_c [8.3324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmHfTaN3]
_chemical_formula_sum '[Tm2 Hf2 Ta2 N6]'
_cell_volume [145.4769]
_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  0.3516  0.7500  0.3107  1
  Hf  Hf1  2  0.2328  0.2500  0.9515  1
  Ta  Ta2  2  0.1254  0.7500  0.6343  1
  N  N3  2  0.0424  0.2500  0.1558  1
  N  N4  2  0.2640  0.2500  0.5051  1
  N  N5  2  0.4440  0.7500  0.8383  1
]