data_TcSnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.1
_cell_length_b   9.1
_cell_length_c   9.1
_cell_angle_alpha   18.17
_cell_angle_beta   18.17
_cell_angle_gamma   18.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSnOs2
_chemical_formula_sum   'Tc1 Sn1 Os2'
_cell_volume   64.06
_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  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.43  1.0
  Os  Os0  1  0.0  0.0  0.02  1.0
  Os  Os1  1  0.0  0.0  0.83  1.0

data_TcSnOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   2.87
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   100.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcSnOs2
_chemical_formula_sum   'Tc2 Sn2 Os4'
_cell_volume   128.13
_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
  Tc  Tc0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.57  1.0
  Os  Os2  2  0.0  0.0  0.17  1.0
  Os  Os3  2  0.0  0.0  0.98  1.0

Tc Sn Os Os
Tc Sn Os Os 0 2 o o o 0 3 o o - 1 1 o + - 1 1 + - o 1 1 + o - 2 3 o o - 