data_Tl3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96
_cell_length_b   7.96
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Ni
_chemical_formula_sum   'Tl12 Ni4'
_cell_volume   420.89
_cell_formula_units_Z   4
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
  Tl  Tl4  1  0.01  0.45  0.84  1.0
  Tl  Tl5  1  0.01  0.45  0.0  1.0
  Tl  Tl6  1  0.99  0.45  0.84  1.0
  Tl  Tl7  1  0.98  0.0  0.84  1.0
  Tl  Tl8  1  0.98  0.0  0.0  1.0
  Tl  Tl9  1  0.99  0.45  0.0  1.0
  Tl  Tl10  1  0.33  0.94  0.76  1.0
  Tl  Tl11  1  0.65  0.95  0.92  1.0
  Tl  Tl12  1  0.67  0.94  0.76  1.0
  Tl  Tl13  1  0.0  0.9  0.76  1.0
  Tl  Tl14  1  0.98  0.99  0.92  1.0
  Tl  Tl15  1  0.31  0.95  0.92  1.0
  Ni  Ni0  1  0.0  0.0  0.84  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.98  0.3  0.76  1.0
  Ni  Ni3  1  0.0  0.59  0.92  1.0

data_Tl3Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.68
_cell_length_b   7.96
_cell_length_c   7.96
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Ni
_chemical_formula_sum   'Tl12 Ni4'
_cell_volume   420.89
_cell_formula_units_Z   4
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
  Tl  Tl0  1  0.0  0.98  0.0  1.0
  Tl  Tl1  1  0.0  0.01  0.45  1.0
  Tl  Tl2  1  0.0  0.99  0.45  1.0
  Tl  Tl3  1  0.76  -0.0  0.9  1.0
  Tl  Tl4  1  0.76  0.33  0.94  1.0
  Tl  Tl5  1  0.76  0.67  0.94  1.0
  Tl  Tl6  1  0.84  0.01  0.45  1.0
  Tl  Tl7  1  0.84  0.98  0.0  1.0
  Tl  Tl8  1  0.84  0.99  0.45  1.0
  Tl  Tl9  1  0.92  0.31  0.95  1.0
  Tl  Tl10  1  0.92  0.65  0.95  1.0
  Tl  Tl11  1  0.92  0.98  0.99  1.0
  Ni  Ni12  1  0.0  0.0  0.0  1.0
  Ni  Ni13  1  0.76  0.98  0.3  1.0
  Ni  Ni14  1  0.84  0.0  0.0  1.0
  Ni  Ni15  1  0.92  -0.0  0.59  1.0

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