data_TcRu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.46
_cell_angle_alpha   92.41
_cell_angle_beta   92.41
_cell_angle_gamma   34.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcRu2Se
_chemical_formula_sum   'Tc1 Ru2 Se1'
_cell_volume   59.58
_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  0.55  0.0  0.23  1.0
  Ru  Ru0  1  0.13  0.0  0.18  1.0
  Ru  Ru1  1  0.96  0.0  0.28  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_TcRu2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.46
_cell_length_c   4.86
_cell_angle_alpha   92.41
_cell_angle_beta   107.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcRu2Se
_chemical_formula_sum   'Tc1 Ru2 Se1'
_cell_volume   59.58
_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  0.23  0.55  1.0
  Ru  Ru1  1  0.0  0.18  0.13  1.0
  Ru  Ru2  1  0.0  0.28  0.96  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Tc Ru Ru Se