data_TlFe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.88
_cell_angle_alpha   100.28
_cell_angle_beta   100.28
_cell_angle_gamma   36.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2Os
_chemical_formula_sum   'Tl1 Fe2 Os1'
_cell_volume   62.11
_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  0.97  0.0  0.4  1.0
  Fe  Fe0  1  0.38  0.0  0.92  1.0
  Fe  Fe1  1  0.55  0.0  0.88  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0

data_TlFe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.66
_cell_length_c   4.88
_cell_angle_alpha   100.28
_cell_angle_beta   90.0
_cell_angle_gamma   108.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2Os
_chemical_formula_sum   'Tl1 Fe2 Os1'
_cell_volume   62.11
_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  0.03  0.6  1.0
  Fe  Fe1  1  0.0  0.45  0.12  1.0
  Fe  Fe2  1  0.0  0.62  0.08  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

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