data_Tl2Tc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   119.1
_cell_angle_beta   119.1
_cell_angle_gamma   91.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Tc2Os
_chemical_formula_sum   'Tl2 Tc2 Os1'
_cell_volume   104.72
_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  0.0  0.67  0.84  1.0
  Tl  Tl4  1  0.67  0.0  0.84  1.0
  Tc  Tc1  1  0.0  0.0  0.79  1.0
  Tc  Tc2  1  0.0  0.0  0.56  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0

data_Tl2Tc2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.35
_cell_length_b   7.55
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   134.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2Tc2Os
_chemical_formula_sum   'Tl4 Tc4 Os2'
_cell_volume   209.44
_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  0.5  0.33  0.16  1.0
  Tc  Tc1  2  0.21  0.0  0.21  1.0
  Tc  Tc2  2  0.44  0.0  0.44  1.0
  Os  Os3  2  0.0  0.0  0.0  1.0

Tl Tl Tc Tc Os