data_Tl3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   10.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Os
_chemical_formula_sum   'Tl12 Os4'
_cell_volume   373.95
_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  0.4  0.77  0.29  1.0
  Tl  Tl5  1  0.4  0.77  0.0  1.0
  Tl  Tl6  1  0.6  0.77  0.29  1.0
  Tl  Tl7  1  0.19  0.0  0.29  1.0
  Tl  Tl8  1  0.19  0.0  0.0  1.0
  Tl  Tl9  1  0.6  0.77  0.0  1.0
  Tl  Tl10  1  0.67  0.65  0.94  1.0
  Tl  Tl11  1  0.52  0.88  0.65  1.0
  Tl  Tl12  1  0.33  0.65  0.94  1.0
  Tl  Tl13  1  0.0  0.76  0.94  1.0
  Tl  Tl14  1  0.19  0.77  0.65  1.0
  Tl  Tl15  1  0.86  0.88  0.65  1.0
  Os  Os0  1  0.0  0.0  0.29  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.19  0.84  0.94  1.0
  Os  Os3  1  0.0  0.69  0.65  1.0

data_Tl3Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   10.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Os
_chemical_formula_sum   'Tl12 Os4'
_cell_volume   373.95
_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  0.76  0.94  1.0
  Tl  Tl1  1  0.19  0.0  0.0  1.0
  Tl  Tl2  1  0.19  0.0  0.29  1.0
  Tl  Tl3  1  0.19  0.77  0.65  1.0
  Tl  Tl4  1  0.33  0.65  0.94  1.0
  Tl  Tl5  1  0.4  0.77  0.0  1.0
  Tl  Tl6  1  0.4  0.77  0.29  1.0
  Tl  Tl7  1  0.52  0.88  0.65  1.0
  Tl  Tl8  1  0.6  0.77  0.0  1.0
  Tl  Tl9  1  0.6  0.77  0.29  1.0
  Tl  Tl10  1  0.67  0.65  0.94  1.0
  Tl  Tl11  1  0.86  0.88  0.65  1.0
  Os  Os12  1  0.0  0.0  0.0  1.0
  Os  Os13  1  0.0  0.0  0.29  1.0
  Os  Os14  1  0.0  0.69  0.65  1.0
  Os  Os15  1  0.19  0.84  0.94  1.0

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