data_TcSb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.95
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSb2Os
_chemical_formula_sum   'Tc1 Sb2 Os1'
_cell_volume   72.41
_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
  Tc  Tc3  1  0.0  0.0  0.26  1.0
  Sb  Sb1  1  0.59  0.0  0.03  1.0
  Sb  Sb2  1  0.0  0.47  0.42  1.0
  Os  Os0  1  0.59  0.47  0.21  1.0

data_TcSb2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.62
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSb2Os
_chemical_formula_sum   'Tc1 Sb2 Os1'
_cell_volume   72.41
_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
  Tc  Tc0  1  0.0  0.74  0.0  1.0
  Sb  Sb1  1  0.0  0.58  0.53  1.0
  Sb  Sb2  1  0.41  0.97  0.0  1.0
  Os  Os3  1  0.41  0.79  0.53  1.0

Tc Sb Sb Os
Tc Sb Sb Os 0 1 - o o 2 3 - o o 