data_Hf2MnTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   147.11
_cell_angle_beta   131.19
_cell_angle_gamma   60.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MnTl
_chemical_formula_sum   'Hf2 Mn1 Tl1'
_cell_volume   77.61
_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  0.0  0.02  1.0
  Hf  Hf1  1  0.63  0.0  0.91  1.0
  Mn  Mn2  1  0.0  0.0  0.91  1.0
  Tl  Tl3  1  0.0  0.38  0.15  1.0

data_Hf2MnTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.76
_cell_length_c   5.77
_cell_angle_alpha   114.4
_cell_angle_beta   106.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MnTl
_chemical_formula_sum   'Hf2 Mn1 Tl1'
_cell_volume   77.61
_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  0.02  0.02  1.0
  Hf  Hf1  1  0.0  0.91  0.27  1.0
  Mn  Mn2  1  0.0  0.91  0.91  1.0
  Tl  Tl3  1  0.62  0.77  0.77  1.0

Hf Hf Mn Tl