data_HfSnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   6.74
_cell_angle_alpha   113.83
_cell_angle_beta   113.83
_cell_angle_gamma   40.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnTe2
_chemical_formula_sum   'Hf1 Sn1 Te2'
_cell_volume   115.89
_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  0.28  0.0  0.12  1.0
  Sn  Sn1  1  0.51  0.0  0.58  1.0
  Te  Te2  1  0.91  0.0  0.01  1.0
  Te  Te3  1  0.19  0.0  0.41  1.0

data_HfSnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.39
_cell_length_c   6.72
_cell_angle_alpha   66.58
_cell_angle_beta   73.67
_cell_angle_gamma   69.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnTe2
_chemical_formula_sum   'Hf1 Sn1 Te2'
_cell_volume   115.89
_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  0.16  0.12  1.0
  Sn  Sn1  1  0.0  0.93  0.58  1.0
  Te  Te2  1  0.0  0.78  0.41  1.0
  Te  Te3  1  0.0  0.9  0.01  1.0

Hf Sn Te Te
Hf Sn Te Te 0 2 - o o 1 3 o o o 