data_TcOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcOs
_chemical_formula_sum   'Tc4 Os4'
_cell_volume   126.46
_cell_formula_units_Z   4
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  Tc4  1  0.13  0.23  0.66  1.0
  Tc  Tc5  1  0.0  0.45  0.7  1.0
  Tc  Tc6  1  0.0  0.45  0.42  1.0
  Tc  Tc7  1  0.13  0.23  0.38  1.0
  Os  Os0  1  0.0  0.0  0.02  1.0
  Os  Os1  1  0.0  0.0  0.06  1.0
  Os  Os2  1  0.13  0.23  0.06  1.0
  Os  Os3  1  0.0  0.45  0.02  1.0

data_TcOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcOs
_chemical_formula_sum   'Tc4 Os4'
_cell_volume   126.46
_cell_formula_units_Z   4
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  0.45  0.42  1.0
  Tc  Tc1  1  -0.0  0.45  0.7  1.0
  Tc  Tc2  1  0.13  0.23  0.38  1.0
  Tc  Tc3  1  0.13  0.23  0.66  1.0
  Os  Os4  1  -0.0  0.45  0.02  1.0
  Os  Os5  1  0.0  0.0  0.02  1.0
  Os  Os6  1  0.0  0.0  0.06  1.0
  Os  Os7  1  0.13  0.23  0.06  1.0

Tc Tc Tc Tc Os Os Os Os
Tc Tc Tc Tc Os Os Os Os 0 1 o o o 2 3 o o o 4 5 o o o 4 6 o o o 5 6 o o o 6 7 o o o 