data_TlFe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.8
_cell_angle_alpha   101.49
_cell_angle_beta   101.49
_cell_angle_gamma   35.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2Os
_chemical_formula_sum   'Tl1 Fe2 Os1'
_cell_volume   58.1
_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  0.37  0.0  0.08  1.0
  Fe  Fe0  1  0.7  0.0  0.55  1.0
  Fe  Fe1  1  0.51  0.0  0.44  1.0
  Os  Os2  1  0.01  0.0  0.67  1.0

data_TlFe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.64
_cell_length_c   4.8
_cell_angle_alpha   101.49
_cell_angle_beta   90.0
_cell_angle_gamma   107.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2Os
_chemical_formula_sum   'Tl1 Fe2 Os1'
_cell_volume   58.1
_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  0.63  0.92  1.0
  Fe  Fe1  1  0.0  0.3  0.45  1.0
  Fe  Fe2  1  0.0  0.49  0.56  1.0
  Os  Os3  1  0.0  0.99  0.33  1.0

Tl Fe Fe Os