data_Hf2TeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   4.64
_cell_angle_alpha   111.46
_cell_angle_beta   111.46
_cell_angle_gamma   36.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TeRh
_chemical_formula_sum   'Hf2 Te1 Rh1'
_cell_volume   80.55
_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  0.67  0.0  0.03  1.0
  Hf  Hf1  1  0.15  0.0  0.96  1.0
  Te  Te3  1  0.87  0.0  0.06  1.0
  Rh  Rh2  1  0.42  0.0  0.39  1.0

data_Hf2TeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.64
_cell_length_c   5.64
_cell_angle_alpha   111.46
_cell_angle_beta   108.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TeRh
_chemical_formula_sum   'Hf2 Te1 Rh1'
_cell_volume   80.55
_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  0.03  0.67  1.0
  Hf  Hf1  1  0.0  0.96  0.15  1.0
  Te  Te2  1  0.0  0.06  0.87  1.0
  Rh  Rh3  1  0.0  0.39  0.42  1.0

Hf Hf Te Rh
Hf Hf Te Rh 0 2 o o o 1 2 - o + 1 3 o o + 