data_Yb3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3Tl
_chemical_formula_sum   'Yb6 Tl2'
_cell_volume   244.32
_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
  Yb  Yb2  1  0.0  0.13  0.19  1.0
  Yb  Yb3  1  0.7  0.09  0.19  1.0
  Yb  Yb4  1  0.3  0.09  0.19  1.0
  Yb  Yb5  1  0.55  0.02  0.4  1.0
  Yb  Yb6  1  0.85  0.07  0.4  1.0
  Yb  Yb7  1  0.26  0.07  0.4  1.0
  Tl  Tl0  1  0.0  0.1  0.4  1.0
  Tl  Tl1  1  0.55  0.05  0.19  1.0

data_Yb3Tl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.59
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Yb3Tl
_chemical_formula_sum   'Yb6 Tl2'
_cell_volume   244.32
_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
  Yb  Yb0  2  0.1  0.28  0.94  1.0
  Yb  Yb1  2  0.1  0.57  0.99  1.0
  Yb  Yb2  2  0.1  0.98  0.99  1.0
  Tl  Tl3  2  0.1  0.72  0.03  1.0

Yb Yb Yb Yb Yb Yb Tl Tl
Yb Yb Yb Yb Yb Yb Tl Tl 0 6 o o o 1 7 o o o 2 5 o o o 3 7 o o o 4 6 + o o 