data_TcBi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   147.16
_cell_angle_beta   134.49
_cell_angle_gamma   57.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBi2Ru
_chemical_formula_sum   'Tc1 Bi2 Ru1'
_cell_volume   81.13
_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  0.0  0.57  1.0
  Bi  Bi0  1  0.68  0.0  0.09  1.0
  Bi  Bi1  1  0.0  0.0  0.68  1.0
  Ru  Ru2  1  0.0  0.3  0.12  1.0

data_TcBi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.61
_cell_length_c   5.96
_cell_angle_alpha   112.75
_cell_angle_beta   106.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBi2Ru
_chemical_formula_sum   'Tc1 Bi2 Ru1'
_cell_volume   81.13
_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  0.57  0.57  1.0
  Bi  Bi1  1  0.0  0.09  0.41  1.0
  Bi  Bi2  1  0.0  0.68  0.68  1.0
  Ru  Ru3  1  0.7  0.82  0.82  1.0

Tc Bi Bi Ru
Tc Bi Bi Ru 0 2 o o o 0 1 - o o 2 3 o o + 