data_LiHf2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   136.06
_cell_angle_beta   136.06
_cell_angle_gamma   63.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2Te
_chemical_formula_sum   'Li1 Hf2 Te1'
_cell_volume   81.69
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.0  0.08  0.36  1.0
  Hf  Hf1  1  0.08  0.0  0.36  1.0
  Te  Te3  1  0.0  0.0  0.72  1.0

data_LiHf2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   121.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHf2Te
_chemical_formula_sum   'Li2 Hf4 Te2'
_cell_volume   163.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Hf  Hf1  4  0.46  0.46  0.28  1.0
  Te  Te2  2  0.0  0.0  0.72  1.0

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