data_HfTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTe2Se
_chemical_formula_sum   'Hf1 Te2 Se1'
_cell_volume   100.05
_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  0.0  0.0  1.0
  Te  Te2  1  0.4  0.49  0.8  1.0
  Te  Te3  1  0.4  0.51  0.8  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_HfTe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.59
_cell_length_c   5.71
_cell_angle_alpha   119.35
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTe2Se
_chemical_formula_sum   'Hf1 Te2 Se1'
_cell_volume   100.05
_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  -0.0  0.0  0.8  1.0
  Te  Te1  1  0.8  0.49  0.89  1.0
  Te  Te2  1  0.8  0.51  0.91  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Hf Te Te Se