data_TcAs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAs2Se
_chemical_formula_sum   'Tc1 As2 Se1'
_cell_volume   68.7
_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  0.82  0.0  0.0  1.0
  As  As0  1  0.41  0.11  0.61  1.0
  As  As1  1  0.41  0.89  0.61  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_TcAs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   106.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAs2Se
_chemical_formula_sum   'Tc1 As2 Se1'
_cell_volume   68.7
_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  0.82  0.0  1.0
  As  As1  1  0.61  0.41  0.89  1.0
  As  As2  1  0.61  0.41  0.11  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Tc As As Se