data_Be2TcRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79
_cell_length_b   7.79
_cell_length_c   7.79
_cell_angle_alpha   19.82
_cell_angle_beta   19.82
_cell_angle_gamma   19.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TcRu
_chemical_formula_sum   'Be2 Tc1 Ru1'
_cell_volume   47.56
_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  0.25  1.0
  Be  Be1  1  0.0  0.0  0.66  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.46  1.0

data_Be2TcRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   2.68
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   101.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2TcRu
_chemical_formula_sum   'Be4 Tc2 Ru2'
_cell_volume   95.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.34  1.0
  Be  Be1  2  -0.0  0.0  0.75  1.0
  Tc  Tc2  2  0.0  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.54  1.0

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