data_BeFeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.02
_cell_angle_alpha   114.47
_cell_angle_beta   114.47
_cell_angle_gamma   35.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeRu2
_chemical_formula_sum   'Be1 Fe1 Ru2'
_cell_volume   47.34
_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  0.71  0.0  0.81  1.0
  Fe  Fe1  1  0.82  0.0  0.67  1.0
  Ru  Ru2  1  0.29  0.0  0.6  1.0
  Ru  Ru3  1  0.46  0.0  0.98  1.0

data_BeFeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.02
_cell_length_c   4.75
_cell_angle_alpha   114.47
_cell_angle_beta   107.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeRu2
_chemical_formula_sum   'Be1 Fe1 Ru2'
_cell_volume   47.34
_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  0.81  0.71  1.0
  Fe  Fe1  1  0.0  0.67  0.82  1.0
  Ru  Ru2  1  0.0  0.6  0.29  1.0
  Ru  Ru3  1  0.0  0.98  0.46  1.0

Be Fe Ru Ru