data_HfW2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.93
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   91.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfW2Se
_chemical_formula_sum   'Hf1 W2 Se1'
_cell_volume   71.91
_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  0.53  0.0  0.3  1.0
  W  W2  1  0.54  0.46  0.43  1.0
  W  W3  1  0.52  0.46  0.18  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_HfW2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.61
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfW2Se
_chemical_formula_sum   'Hf1 W2 Se1'
_cell_volume   71.91
_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  0.47  0.7  0.0  1.0
  W  W1  1  0.46  0.57  0.54  1.0
  W  W2  1  0.48  0.82  0.54  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Hf W W Se
Hf W W Se 0 3 o o o 0 3 + o o 0 2 o o o 0 1 o o o 1 2 o o o 