data_CaHfTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46
_cell_length_b   8.22
_cell_length_c   3.29
_cell_angle_alpha   82.69
_cell_angle_beta   74.62
_cell_angle_gamma   22.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHfTl
_chemical_formula_sum   'Ca1 Hf1 Tl1'
_cell_volume   80.74
_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
  Ca  Ca0  1  0.86  0.72  1.0  1.0
  Hf  Hf1  1  0.86  0.72  0.78  1.0
  Tl  Tl2  1  0.86  0.72  0.27  1.0

data_CaHfTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.71
_cell_length_b   16.02
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   124.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaHfTl
_chemical_formula_sum   'Ca2 Hf2 Tl2'
_cell_volume   161.48
_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
  Ca  Ca0  2  0.22  0.5  0.15  1.0
  Hf  Hf1  2  0.22  0.5  0.37  1.0
  Tl  Tl2  2  0.22  0.5  0.87  1.0

Ca Hf Tl