data_HfTl2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   4.94
_cell_angle_alpha   106.73
_cell_angle_beta   106.73
_cell_angle_gamma   39.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl2Mo
_chemical_formula_sum   'Hf1 Tl2 Mo1'
_cell_volume   84.09
_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  0.22  0.0  0.35  1.0
  Tl  Tl2  1  0.4  0.0  0.58  1.0
  Tl  Tl3  1  0.03  0.0  0.12  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_HfTl2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.94
_cell_length_c   5.29
_cell_angle_alpha   106.73
_cell_angle_beta   109.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl2Mo
_chemical_formula_sum   'Hf1 Tl2 Mo1'
_cell_volume   84.09
_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  0.35  0.22  1.0
  Tl  Tl1  1  0.0  0.12  0.03  1.0
  Tl  Tl2  1  0.0  0.58  0.4  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Hf Tl Tl Mo
Hf Tl Tl Mo 0 2 o o o 0 1 o o o 2 3 o o o 