data_[Tm2Hf1Mg1N4]
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 [P2/m]
_cell_length_a [5.6864]
_cell_length_b [3.3091]
_cell_length_c [5.6979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm2HfMgN4]
_chemical_formula_sum '[Tm2 Hf1 Mg1 N4]'
_cell_volume [101.2318]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Tm  Tm1  1  0.5000  0.5000  0.0000  1.0
  Hf  Hf2  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg3  1  0.0000  0.5000  0.5000  1.0
  N  N4  2  0.2364  0.5000  0.2382  1.0
  N  N5  2  0.2410  0.0000  0.7585  1.0
]