data_Tl4Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.29
_cell_length_b   16.29
_cell_length_c   16.29
_cell_angle_alpha   169.33
_cell_angle_beta   169.33
_cell_angle_gamma   15.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Os3
_chemical_formula_sum   'Tl4 Os3'
_cell_volume   148.25
_cell_formula_units_Z   1
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  Tl3  1  0.0  0.0  0.26  1.0
  Tl  Tl4  1  0.0  0.0  0.03  1.0
  Tl  Tl5  1  0.0  0.0  0.18  1.0
  Tl  Tl6  1  0.0  0.0  0.12  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.49  1.0
  Os  Os2  1  0.0  0.0  0.8  1.0

data_Tl4Os3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   16.29
_cell_angle_alpha   90.0
_cell_angle_beta   97.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl4Os3
_chemical_formula_sum   'Tl8 Os6'
_cell_volume   296.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.03  0.0  0.03  1.0
  Tl  Tl1  2  0.12  0.0  0.12  1.0
  Tl  Tl2  2  0.18  0.0  0.18  1.0
  Tl  Tl3  2  0.26  0.0  0.26  1.0
  Os  Os4  2  0.0  0.0  0.0  1.0
  Os  Os5  2  0.3  0.5  0.8  1.0
  Os  Os6  2  0.49  0.0  0.49  1.0

Tl Tl Tl Tl Os Os Os