data_Tl2FeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   131.42
_cell_angle_beta   131.42
_cell_angle_gamma   71.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeOs
_chemical_formula_sum   'Tl2 Fe1 Os1'
_cell_volume   73.91
_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  0.11  0.08  1.0
  Tl  Tl3  1  0.11  0.0  0.08  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.16  1.0

data_Tl2FeOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   125.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2FeOs
_chemical_formula_sum   'Tl4 Fe2 Os2'
_cell_volume   147.82
_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  4  0.47  0.45  0.02  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.34  0.5  0.84  1.0

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