data_BeTcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   3.87
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   103.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTcRu2
_chemical_formula_sum   'Be1 Tc1 Ru2'
_cell_volume   51.78
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.41  0.0  0.47  1.0
  Ru  Ru1  1  0.77  0.94  0.14  1.0
  Ru  Ru2  1  0.76  0.94  0.81  1.0

data_BeTcRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   3.87
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   103.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTcRu2
_chemical_formula_sum   'Be1 Tc1 Ru2'
_cell_volume   51.78
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.41  0.0  0.47  1.0
  Ru  Ru2  1  0.76  0.94  0.81  1.0
  Ru  Ru3  1  0.77  0.94  0.14  1.0

Be Tc Ru Ru
Be Tc Ru Ru 0 3 - - - 0 2 - - o 1 2 - - o 1 2 o - o 1 3 o - o 