data_Be2TcRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   142.56
_cell_angle_beta   123.87
_cell_angle_gamma   69.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TcRu
_chemical_formula_sum   'Be2 Tc1 Ru1'
_cell_volume   47.18
_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  0.15  0.85  1.0
  Be  Be1  1  0.46  0.0  0.9  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.75  1.0

data_Be2TcRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.29
_cell_length_c   4.56
_cell_angle_alpha   118.07
_cell_angle_beta   108.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TcRu
_chemical_formula_sum   'Be2 Tc1 Ru1'
_cell_volume   47.18
_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  0.15  0.29  0.29  1.0
  Be  Be1  1  0.57  0.1  0.57  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.25  0.25  0.25  1.0

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