data_Tl2FeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   4.59
_cell_angle_alpha   110.88
_cell_angle_beta   110.88
_cell_angle_gamma   26.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeOs
_chemical_formula_sum   'Tl2 Fe1 Os1'
_cell_volume   76.58
_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  0.36  0.0  0.24  1.0
  Tl  Tl3  1  0.31  0.0  0.29  1.0
  Fe  Fe0  1  0.59  0.0  0.16  1.0
  Os  Os1  1  0.16  0.0  0.99  1.0

data_Tl2FeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.59
_cell_length_c   6.37
_cell_angle_alpha   110.88
_cell_angle_beta   103.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeOs
_chemical_formula_sum   'Tl2 Fe1 Os1'
_cell_volume   76.58
_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  Tl0  1  0.0  0.24  0.36  1.0
  Tl  Tl1  1  0.0  0.29  0.31  1.0
  Fe  Fe2  1  0.0  0.16  0.59  1.0
  Os  Os3  1  0.0  0.99  0.16  1.0

Tl Tl Fe Os
Tl Tl Fe Os 0 1 o o o 0 2 o o o 0 3 o o - 1 3 o o - 