data_Tc2Os2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   6.8
_cell_angle_alpha   148.79
_cell_angle_beta   148.79
_cell_angle_gamma   44.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2Os2Se
_chemical_formula_sum   'Tc2 Os2 Se1'
_cell_volume   84.2
_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  0.83  0.15  1.0
  Tc  Tc4  1  0.83  0.0  0.15  1.0
  Os  Os0  1  0.0  0.0  0.62  1.0
  Os  Os1  1  0.0  0.0  0.96  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_Tc2Os2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   112.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2Os2Se
_chemical_formula_sum   'Tc4 Os4 Se2'
_cell_volume   168.41
_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  4  0.41  0.59  0.68  1.0
  Os  Os1  2  0.0  0.0  0.04  1.0
  Os  Os2  2  0.0  0.0  0.38  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Tc Tc Os Os Se
Tc Tc Os Os Se 0 1 - + o 0 2 o + o 1 2 + o o 2 4 o o + 2 3 o o o 3 4 o o + 