data_BeSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   36.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSi2Ru
_chemical_formula_sum   'Be1 Si2 Ru1'
_cell_volume   50.04
_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  0.49  1.0
  Si  Si2  1  0.0  0.0  0.16  1.0
  Si  Si3  1  0.92  0.0  0.31  1.0
  Ru  Ru1  1  0.92  0.0  0.84  1.0

data_BeSi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.83
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   108.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSi2Ru
_chemical_formula_sum   'Be1 Si2 Ru1'
_cell_volume   50.04
_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  0.51  0.0  0.51  1.0
  Si  Si1  1  0.69  0.92  0.69  1.0
  Si  Si2  1  0.84  0.0  0.84  1.0
  Ru  Ru3  1  0.16  0.92  0.16  1.0

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