data_ZrTl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   145.49
_cell_angle_beta   133.83
_cell_angle_gamma   58.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Cd
_chemical_formula_sum   'Zr1 Tl2 Cd1'
_cell_volume   97.62
_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
  Zr  Zr3  1  0.0  0.0  0.46  1.0
  Tl  Tl1  1  0.0  0.0  0.79  1.0
  Tl  Tl2  1  0.85  0.0  0.8  1.0
  Cd  Cd0  1  0.0  0.44  0.62  1.0

data_ZrTl2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.88
_cell_length_c   6.22
_cell_angle_alpha   113.08
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Cd
_chemical_formula_sum   'Zr1 Tl2 Cd1'
_cell_volume   97.62
_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
  Zr  Zr0  1  0.54  0.54  0.54  1.0
  Tl  Tl1  1  0.05  0.2  0.05  1.0
  Tl  Tl2  1  0.21  0.21  0.21  1.0
  Cd  Cd3  1  0.38  0.82  0.82  1.0

Zr Tl Tl Cd