data_Y3Tl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.78
_cell_length_b   14.78
_cell_length_c   14.78
_cell_angle_alpha   165.55
_cell_angle_beta   165.55
_cell_angle_gamma   20.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Tl4
_chemical_formula_sum   'Y3 Tl4'
_cell_volume   201.25
_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  Y4  1  0.0  0.0  0.0  1.0
  Y  Y5  1  0.0  0.0  0.63  1.0
  Y  Y6  1  0.0  0.0  0.47  1.0
  Tl  Tl0  1  0.0  0.0  0.07  1.0
  Tl  Tl1  1  0.0  0.0  0.03  1.0
  Tl  Tl2  1  0.0  0.0  0.6  1.0
  Tl  Tl3  1  0.0  0.0  0.5  1.0

data_Y3Tl4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   14.78
_cell_angle_alpha   90.0
_cell_angle_beta   100.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y3Tl4
_chemical_formula_sum   'Y6 Tl8'
_cell_volume   402.5
_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
  Y  Y1  2  0.0  0.0  0.37  1.0
  Y  Y2  2  0.0  0.0  0.53  1.0
  Tl  Tl3  2  0.0  0.0  0.4  1.0
  Tl  Tl4  2  0.0  0.0  0.5  1.0
  Tl  Tl5  2  0.0  0.0  0.93  1.0
  Tl  Tl6  2  0.0  0.0  0.97  1.0

Y Y Y Tl Tl Tl Tl