data_YTl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   131.97
_cell_angle_beta   131.97
_cell_angle_gamma   70.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Cd
_chemical_formula_sum   'Y1 Tl2 Cd1'
_cell_volume   106.86
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.37  0.38  1.0
  Tl  Tl2  1  0.37  0.0  0.38  1.0
  Cd  Cd0  1  0.0  0.0  0.76  1.0

data_YTl2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   125.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTl2Cd
_chemical_formula_sum   'Y2 Tl4 Cd2'
_cell_volume   213.72
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.32  0.32  0.01  1.0
  Cd  Cd2  2  0.0  0.0  0.76  1.0

Y Tl Tl Cd