data_TcIr2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.44
_cell_angle_alpha   91.2
_cell_angle_beta   91.2
_cell_angle_gamma   32.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcIr2Se
_chemical_formula_sum   'Tc1 Ir2 Se1'
_cell_volume   61.44
_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  0.79  0.0  0.22  1.0
  Ir  Ir0  1  0.1  0.0  0.29  1.0
  Ir  Ir1  1  0.48  0.0  0.16  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_TcIr2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.44
_cell_length_c   5.05
_cell_angle_alpha   91.2
_cell_angle_beta   106.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcIr2Se
_chemical_formula_sum   'Tc1 Ir2 Se1'
_cell_volume   61.44
_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  0.22  0.79  1.0
  Ir  Ir1  1  0.0  0.16  0.48  1.0
  Ir  Ir2  1  0.0  0.29  0.1  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Tc Ir Ir Se