data_HfMnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   4.36
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnN2
_chemical_formula_sum   'Hf4 Mn4 N8'
_cell_volume   202.86
_cell_formula_units_Z   4
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
  Hf  Hf0  1  0.77  0.27  0.64  1.0
  Hf  Hf1  1  0.53  0.09  0.74  1.0
  Hf  Hf2  1  0.68  0.09  0.95  1.0
  Hf  Hf3  1  0.62  0.27  0.43  1.0
  Mn  Mn4  1  0.59  0.27  0.95  1.0
  Mn  Mn5  1  0.72  0.09  0.43  1.0
  Mn  Mn6  1  0.87  0.09  0.64  1.0
  Mn  Mn7  1  0.43  0.27  0.74  1.0
  N  N8  1  0.69  0.09  0.54  1.0
  N  N9  1  0.61  0.27  0.84  1.0
  N  N10  1  0.76  0.27  0.85  1.0
  N  N11  1  0.54  0.09  0.53  1.0
  N  N12  1  0.58  0.09  0.95  1.0
  N  N13  1  0.73  0.27  0.43  1.0
  N  N14  1  0.88  0.27  0.64  1.0
  N  N15  1  0.43  0.09  0.74  1.0

data_HfMnN2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.36
_cell_length_b   6.3
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfMnN2
_chemical_formula_sum   'Hf4 Mn4 N8'
_cell_volume   202.86
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Hf  Hf0  2  0.41  0.03  0.26  1.0
  Hf  Hf1  2  0.41  0.88  0.05  1.0
  Mn  Mn2  2  0.41  0.07  0.74  1.0
  Mn  Mn3  2  0.41  0.22  0.95  1.0
  N  N4  2  0.41  0.04  0.85  1.0
  N  N5  2  0.41  0.77  0.05  1.0
  N  N6  2  0.41  0.89  0.84  1.0
  N  N7  2  0.41  0.93  0.26  1.0

Hf Hf Hf Hf Mn Mn Mn Mn N N N N N N N N