data_TcOsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   6.06
_cell_angle_alpha   94.76
_cell_angle_beta   94.76
_cell_angle_gamma   35.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcOsSe2
_chemical_formula_sum   'Tc1 Os1 Se2'
_cell_volume   90.56
_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  0.87  0.0  0.4  1.0
  Os  Os0  1  0.65  0.0  0.28  1.0
  Se  Se1  1  0.39  0.0  0.54  1.0
  Se  Se2  1  0.61  0.0  0.83  1.0

data_TcOsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.1
_cell_length_c   6.06
_cell_angle_alpha   94.76
_cell_angle_beta   90.0
_cell_angle_gamma   107.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcOsSe2
_chemical_formula_sum   'Tc1 Os1 Se2'
_cell_volume   90.56
_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  0.13  0.6  1.0
  Os  Os1  1  0.0  0.35  0.72  1.0
  Se  Se2  1  0.0  0.39  0.17  1.0
  Se  Se3  1  0.0  0.61  0.46  1.0

Tc Os Se Se