# generated using pymatgen
data_Tm2HfN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73833396
_cell_length_b   5.73833261
_cell_length_c   5.73833239
_cell_angle_alpha   146.64132418
_cell_angle_beta   131.90446240
_cell_angle_gamma   59.79236138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2HfN3
_chemical_formula_sum   'Tm2 Hf1 N3'
_cell_volume   76.63578608
_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  0.66697545  0.66697545  0.00000000  1.0
  Tm  Tm1  1  0.33302455  0.33302455  1.00000000  1.0
  Hf  Hf2  1  0.00000000  0.00000000  0.00000000  1.0
  N  N3  1  0.84445692  0.34445692  0.50000000  1.0
  N  N4  1  0.50000000  0.00000000  0.50000000  1.0
  N  N5  1  0.15554308  0.65554308  0.50000000  1.0