data_YBeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   5.13
_cell_angle_alpha   108.32
_cell_angle_beta   108.32
_cell_angle_gamma   40.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeRu2
_chemical_formula_sum   'Y1 Be1 Ru2'
_cell_volume   63.77
_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
  Y  Y3  1  0.37  0.0  0.42  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.76  0.0  0.87  1.0
  Ru  Ru2  1  0.98  0.0  0.97  1.0

data_YBeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.51
_cell_length_c   5.13
_cell_angle_alpha   108.32
_cell_angle_beta   90.0
_cell_angle_gamma   110.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeRu2
_chemical_formula_sum   'Y1 Be1 Ru2'
_cell_volume   63.77
_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
  Y  Y0  1  0.0  0.63  0.58  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.02  0.03  1.0
  Ru  Ru3  1  0.0  0.24  0.13  1.0

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