data_Tl2TeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.56
_cell_length_b   10.56
_cell_length_c   10.56
_cell_angle_alpha   18.7
_cell_angle_beta   18.7
_cell_angle_gamma   18.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TeOs
_chemical_formula_sum   'Tl2 Te1 Os1'
_cell_volume   105.76
_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  Tl2  1  0.0  0.0  0.12  1.0
  Tl  Tl3  1  0.0  0.0  0.82  1.0
  Te  Te1  1  0.0  0.0  0.01  1.0
  Os  Os0  1  0.0  0.0  0.72  1.0

data_Tl2TeOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   3.43
_cell_length_c   10.56
_cell_angle_alpha   90.0
_cell_angle_beta   100.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2TeOs
_chemical_formula_sum   'Tl4 Te2 Os2'
_cell_volume   211.51
_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  0.0  0.0  0.18  1.0
  Tl  Tl1  2  0.0  0.0  0.88  1.0
  Te  Te2  2  0.0  0.0  0.99  1.0
  Os  Os3  2  0.0  0.0  0.28  1.0

Tl Tl Te Os
Tl Tl Te Os 0 2 o o o 1 3 o o o 