data_TlCrCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.32
_cell_length_b   10.32
_cell_length_c   10.32
_cell_angle_alpha   17.13
_cell_angle_beta   17.13
_cell_angle_gamma   17.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrCd2
_chemical_formula_sum   'Tl1 Cr1 Cd2'
_cell_volume   83.17
_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  Tl3  1  0.0  0.0  0.25  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.51  1.0
  Cd  Cd1  1  0.0  0.0  0.98  1.0

data_TlCrCd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   3.07
_cell_length_c   10.32
_cell_angle_alpha   90.0
_cell_angle_beta   99.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCrCd2
_chemical_formula_sum   'Tl2 Cr2 Cd4'
_cell_volume   166.35
_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
  Tl  Tl0  2  -0.0  0.0  0.75  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Cd  Cd2  2  -0.0  0.0  0.49  1.0
  Cd  Cd3  2  -0.0  0.0  0.02  1.0

Tl Cr Cd Cd