data_BeSb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   6.58
_cell_angle_alpha   105.79
_cell_angle_beta   105.79
_cell_angle_gamma   59.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSb2Ru
_chemical_formula_sum   'Be1 Sb2 Ru1'
_cell_volume   80.98
_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  0.34  0.0  0.9  1.0
  Sb  Sb2  1  0.56  0.0  0.59  1.0
  Sb  Sb3  1  0.58  0.0  0.23  1.0
  Ru  Ru1  1  0.1  0.0  0.91  1.0

data_BeSb2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   6.58
_cell_angle_alpha   74.21
_cell_angle_beta   74.21
_cell_angle_gamma   59.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSb2Ru
_chemical_formula_sum   'Be1 Sb2 Ru1'
_cell_volume   80.98
_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  0.66  0.0  0.9  1.0
  Sb  Sb1  1  0.42  0.0  0.23  1.0
  Sb  Sb2  1  0.44  0.0  0.59  1.0
  Ru  Ru3  1  0.9  0.0  0.91  1.0

Be Sb Sb Ru