data_CeTl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeTl3
_chemical_formula_sum   'Ce2 Tl6'
_cell_volume   219.01
_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  0.0  0.96  0.34  1.0
  Ce  Ce1  1  0.43  0.98  0.03  1.0
  Tl  Tl2  1  0.0  0.93  0.03  1.0
  Tl  Tl3  1  0.76  0.98  0.03  1.0
  Tl  Tl4  1  0.24  0.98  0.03  1.0
  Tl  Tl5  1  0.43  0.01  0.34  1.0
  Tl  Tl6  1  0.67  0.97  0.34  1.0
  Tl  Tl7  1  0.19  0.97  0.34  1.0

data_CeTl3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.37
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CeTl3
_chemical_formula_sum   'Ce2 Tl6'
_cell_volume   219.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.78  0.49  1.0
  Tl  Tl1  2  0.16  0.22  0.54  1.0
  Tl  Tl2  2  0.16  0.46  0.5  1.0
  Tl  Tl3  2  0.16  0.97  0.5  1.0

Ce Ce Tl Tl Tl Tl Tl Tl