data_Hf2TlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   136.67
_cell_angle_beta   136.67
_cell_angle_gamma   62.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlCu
_chemical_formula_sum   'Hf2 Tl1 Cu1'
_cell_volume   81.27
_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  Hf1  1  0.06  0.0  0.38  1.0
  Hf  Hf2  1  0.0  0.0  0.77  1.0
  Tl  Tl3  1  0.0  0.06  0.38  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Hf2TlCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.59
_cell_angle_alpha   111.67
_cell_angle_beta   111.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlCu
_chemical_formula_sum   'Hf2 Tl1 Cu1'
_cell_volume   81.27
_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  0.23  0.0  0.23  1.0
  Hf  Hf1  1  0.62  0.0  0.68  1.0
  Tl  Tl2  1  0.68  0.06  0.68  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Hf Hf Tl Cu