data_Hf2TlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.18
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   95.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlCo
_chemical_formula_sum   'Hf2 Tl1 Co1'
_cell_volume   76.55
_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  Hf1  1  0.34  0.59  0.52  1.0
  Hf  Hf2  1  0.17  0.59  0.98  1.0
  Tl  Tl3  1  0.65  0.0  0.75  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Hf2TlCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.21
_cell_length_c   7.53
_cell_angle_alpha   95.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlCo
_chemical_formula_sum   'Hf2 Tl1 Co1'
_cell_volume   76.55
_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  0.41  0.66  0.48  1.0
  Hf  Hf1  1  0.41  0.83  0.02  1.0
  Tl  Tl2  1  0.0  0.35  0.25  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Hf Hf Tl Co
Hf Hf Tl Co 0 2 o o o 0 2 o + o 1 3 o + + 1 2 - + o 2 3 + o + 