data_LaHfTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   7.22
_cell_angle_alpha   106.56
_cell_angle_beta   106.56
_cell_angle_gamma   57.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfTe2
_chemical_formula_sum   'La1 Hf1 Te2'
_cell_volume   114.91
_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
  La  La1  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.75  0.0  0.42  1.0
  Te  Te2  1  0.19  0.0  0.9  1.0
  Te  Te3  1  0.3  0.0  0.93  1.0

data_LaHfTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.47
_cell_length_c   7.22
_cell_angle_alpha   106.56
_cell_angle_beta   90.0
_cell_angle_gamma   118.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfTe2
_chemical_formula_sum   'La1 Hf1 Te2'
_cell_volume   114.91
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.25  0.58  1.0
  Te  Te2  1  0.0  0.7  0.07  1.0
  Te  Te3  1  0.0  0.81  0.1  1.0

La Hf Te Te