data_TlTc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc2Os
_chemical_formula_sum   'Tl1 Tc2 Os1'
_cell_volume   64.98
_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  0.71  0.0  0.0  1.0
  Tc  Tc1  1  0.35  0.07  0.45  1.0
  Tc  Tc2  1  0.35  0.93  0.45  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0

data_TlTc2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   113.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc2Os
_chemical_formula_sum   'Tl1 Tc2 Os1'
_cell_volume   64.98
_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  0.71  0.0  1.0
  Tc  Tc1  1  0.45  0.35  0.07  1.0
  Tc  Tc2  1  0.45  0.35  0.93  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

Tl Tc Tc Os