data_Tl2CrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   133.35
_cell_angle_beta   133.35
_cell_angle_gamma   68.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrCd
_chemical_formula_sum   'Tl2 Cr1 Cd1'
_cell_volume   95.96
_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
  Tl  Tl2  1  0.25  0.0  0.36  1.0
  Tl  Tl3  1  0.0  0.0  0.72  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.25  0.36  1.0

data_Tl2CrCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   5.69
_cell_angle_alpha   113.33
_cell_angle_beta   113.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrCd
_chemical_formula_sum   'Tl2 Cr1 Cd1'
_cell_volume   95.96
_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
  Tl  Tl0  1  0.28  0.0  0.28  1.0
  Tl  Tl1  1  0.64  0.0  0.9  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.9  0.25  0.9  1.0

Tl Tl Cr Cd