data_TlTcOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   133.75
_cell_angle_beta   133.75
_cell_angle_gamma   67.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTcOs2
_chemical_formula_sum   'Tl1 Tc1 Os2'
_cell_volume   64.42
_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  0.08  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.0  0.16  1.0
  Os  Os1  1  0.0  0.97  0.08  1.0

data_TlTcOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   5.01
_cell_angle_alpha   113.12
_cell_angle_beta   113.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTcOs2
_chemical_formula_sum   'Tl1 Tc1 Os2'
_cell_volume   64.42
_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  0.08  0.12  0.12  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.12  0.08  0.12  1.0
  Os  Os3  1  0.16  0.16  0.16  1.0

Tl Tc Os Os