data_Y2TlTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlTe
_chemical_formula_sum   'Y2 Tl1 Te1'
_cell_volume   110.35
_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  Y2  1  0.85  0.85  0.1  1.0
  Y  Y3  1  0.85  0.85  0.95  1.0
  Tl  Tl1  1  0.0  0.0  0.02  1.0
  Te  Te0  1  0.0  0.0  0.0  1.0

data_Y2TlTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2TlTe
_chemical_formula_sum   'Y4 Tl2 Te2'
_cell_volume   220.71
_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  0.35  0.5  0.1  1.0
  Y  Y1  2  0.35  0.5  0.95  1.0
  Tl  Tl2  2  0.0  0.0  0.02  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

Y Y Tl Te
Y Y Tl Te 0 3 + + o 0 2 + + o 1 3 + + + 1 2 + + + 2 3 o o o 