data_Ce5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.57
_cell_length_b   9.57
_cell_length_c   9.57
_cell_angle_alpha   96.24
_cell_angle_beta   96.24
_cell_angle_gamma   141.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce5Tl3
_chemical_formula_sum   'Ce10 Tl6'
_cell_volume   514.8
_cell_formula_units_Z   2
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
  Ce  Ce0  1  0.3  0.42  0.15  1.0
  Ce  Ce1  1  0.81  0.91  0.15  1.0
  Ce  Ce2  1  0.09  0.81  0.15  1.0
  Ce  Ce3  1  0.81  0.09  0.0  1.0
  Ce  Ce4  1  0.39  0.0  0.58  1.0
  Ce  Ce5  1  0.0  0.39  0.58  1.0
  Ce  Ce6  1  0.58  0.3  0.15  1.0
  Ce  Ce7  1  0.3  0.58  0.0  1.0
  Ce  Ce8  1  0.09  0.97  0.0  1.0
  Ce  Ce9  1  0.58  0.48  0.0  1.0
  Tl  Tl10  1  0.0  0.0  0.58  1.0
  Tl  Tl11  1  0.0  0.0  0.73  1.0
  Tl  Tl12  1  0.94  0.33  0.15  1.0
  Tl  Tl13  1  0.06  0.33  0.0  1.0
  Tl  Tl14  1  0.33  0.06  0.15  1.0
  Tl  Tl15  1  0.45  0.06  0.0  1.0

data_Ce5Tl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.31
_cell_length_b   9.57
_cell_length_c   9.57
_cell_angle_alpha   83.76
_cell_angle_beta   70.76
_cell_angle_gamma   70.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce5Tl3
_chemical_formula_sum   'Ce10 Tl6'
_cell_volume   514.8
_cell_formula_units_Z   2
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
  Ce  Ce0  1  0.09  0.0  0.72  1.0
  Ce  Ce1  1  0.15  0.15  0.28  1.0
  Ce  Ce2  1  0.27  0.15  0.88  1.0
  Ce  Ce3  1  0.42  0.58  0.39  1.0
  Ce  Ce4  1  0.48  0.0  0.1  1.0
  Ce  Ce5  1  0.58  0.0  0.72  1.0
  Ce  Ce6  1  0.66  0.15  0.28  1.0
  Ce  Ce7  1  0.76  0.15  0.9  1.0
  Ce  Ce8  1  0.81  0.58  0.61  1.0
  Ce  Ce9  1  0.97  0.0  0.12  1.0
  Tl  Tl10  1  0.06  0.0  0.39  1.0
  Tl  Tl11  1  0.17  0.15  0.61  1.0
  Tl  Tl12  1  0.27  0.73  0.0  1.0
  Tl  Tl13  1  0.33  0.0  0.74  1.0
  Tl  Tl14  1  0.42  0.58  0.0  1.0
  Tl  Tl15  1  0.91  0.15  0.26  1.0

Ce Ce Ce Ce Ce Ce Ce Ce Ce Ce Tl Tl Tl Tl Tl Tl
Ce Ce Ce Ce Ce Ce Ce Ce Ce Ce Tl Tl Tl Tl Tl Tl 0 13 o o o 0 7 o o o 0 1 o o o 0 1 - - o 0 9 o o o 1 7 o o o 1 12 o + o 1 3 o + o 1 9 o o o 1 8 + o o 2 14 o + o 2 4 o + o 2 8 o o o 2 9 - o o 3 12 o o o 3 13 + o o 4 14 o o o 4 11 o o o 4 10 o o o 4 5 o - o 4 5 + o o 4 15 o o + 5 12 - o o 5 13 o o + 5 11 o o o 5 10 o o o 5 7 o o + 6 14 o o o 6 15 o o o 6 9 o o o 7 13 o o o 8 14 o + o 8 9 o + o 8 9 - o o 9 15 o o o 10 11 o o o 12 13 + o o 14 15 o o o 