data_Tc2BRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.48
_cell_angle_alpha   118.05
_cell_angle_beta   118.05
_cell_angle_gamma   34.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BRu
_chemical_formula_sum   'Tc2 B1 Ru1'
_cell_volume   50.12
_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  Tc2  1  0.9  0.0  0.77  1.0
  Tc  Tc3  1  0.38  0.0  0.61  1.0
  B  B0  1  0.19  0.0  0.35  1.0
  Ru  Ru1  1  0.65  0.0  0.01  1.0

data_Tc2BRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.48
_cell_length_c   4.76
_cell_angle_alpha   118.05
_cell_angle_beta   107.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BRu
_chemical_formula_sum   'Tc2 B1 Ru1'
_cell_volume   50.12
_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  0.61  0.38  1.0
  Tc  Tc1  1  0.0  0.77  0.9  1.0
  B  B2  1  0.0  0.35  0.19  1.0
  Ru  Ru3  1  0.0  0.01  0.65  1.0

Tc Tc B Ru