data_Hf2TlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   3.38
_cell_angle_alpha   102.35
_cell_angle_beta   102.35
_cell_angle_gamma   26.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlP
_chemical_formula_sum   'Hf2 Tl1 P1'
_cell_volume   85.64
_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  0.31  0.0  0.11  1.0
  Hf  Hf1  1  0.09  0.0  0.06  1.0
  Tl  Tl3  1  0.39  0.0  0.21  1.0
  P  P2  1  0.43  0.0  0.57  1.0

data_Hf2TlP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.48
_cell_length_c   7.65
_cell_angle_alpha   103.16
_cell_angle_beta   102.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlP
_chemical_formula_sum   'Hf2 Tl1 P1'
_cell_volume   85.64
_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  0.89  0.0  0.69  1.0
  Hf  Hf1  1  0.94  0.0  0.91  1.0
  Tl  Tl2  1  0.79  0.0  0.61  1.0
  P  P3  1  0.43  0.0  0.57  1.0

Hf Hf Tl P