data_[Ba2Hf2Mo2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hf  1.3000  1.5500  0.8500
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7710]
_cell_length_b [5.8929]
_cell_length_c [7.4172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaHfMoN4]
_chemical_formula_sum '[Ba2 Hf2 Mo2 N8]'
_cell_volume [239.4288]
_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
[
  Ba  Ba0  2  0.2713  0.2500  0.0603  1.0
  Hf  Hf1  2  0.1761  0.2500  0.5366  1.0
  Mo  Mo2  2  0.2801  0.7500  0.3496  1.0
  N  N3  4  0.0443  0.5122  0.3270  1.0
  N  N4  2  0.4830  0.7500  0.1961  1.0
  N  N5  2  0.4924  0.2500  0.4222  1.0
]