data_HfMgTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   152.02
_cell_angle_beta   152.02
_cell_angle_gamma   39.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgTl
_chemical_formula_sum   'Hf1 Mg1 Tl1'
_cell_volume   68.09
_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  0.0  0.69  1.0
  Mg  Mg1  1  0.0  0.0  0.23  1.0
  Tl  Tl2  1  0.0  0.0  0.51  1.0

data_HfMgTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   109.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMgTl
_chemical_formula_sum   'Hf2 Mg2 Tl2'
_cell_volume   136.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.19  0.5  0.69  1.0
  Mg  Mg1  2  0.23  0.0  0.23  1.0
  Tl  Tl2  2  0.01  0.5  0.51  1.0

Hf Mg Tl