data_HfMgTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   5.36
_cell_angle_alpha   110.38
_cell_angle_beta   110.38
_cell_angle_gamma   31.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgTl2
_chemical_formula_sum   'Hf1 Mg1 Tl2'
_cell_volume   94.92
_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  0.64  0.0  0.94  1.0
  Mg  Mg1  1  0.44  0.0  0.87  1.0
  Tl  Tl2  1  0.85  0.0  0.41  1.0
  Tl  Tl3  1  0.57  0.0  0.27  1.0

data_HfMgTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.36
_cell_length_c   6.03
_cell_angle_alpha   110.38
_cell_angle_beta   105.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgTl2
_chemical_formula_sum   'Hf1 Mg1 Tl2'
_cell_volume   94.92
_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  0.94  0.64  1.0
  Mg  Mg1  1  0.0  0.87  0.44  1.0
  Tl  Tl2  1  0.0  0.27  0.57  1.0
  Tl  Tl3  1  0.0  0.41  0.85  1.0

Hf Mg Tl Tl