data_HfNb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   4.47
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   107.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2Se
_chemical_formula_sum   'Hf1 Nb2 Se1'
_cell_volume   74.77
_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
  Hf  Hf0  1  0.8  0.23  0.36  1.0
  Nb  Nb1  1  0.16  0.0  0.5  1.0
  Nb  Nb2  1  0.53  0.23  0.97  1.0
  Se  Se3  1  0.48  0.0  0.73  1.0

data_HfNb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.47
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   107.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2Se
_chemical_formula_sum   'Hf1 Nb2 Se1'
_cell_volume   74.77
_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
  Hf  Hf0  1  0.8  0.23  0.36  1.0
  Nb  Nb1  1  0.16  0.0  0.5  1.0
  Nb  Nb2  1  0.53  0.23  0.97  1.0
  Se  Se3  1  0.48  0.0  0.73  1.0

Hf Nb Nb Se