data_NaBeInRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeInRu
_chemical_formula_sum   'Na1 Be1 In1 Ru1'
_cell_volume   64.46
_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
  Na  Na2  1  0.59  0.59  0.59  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.18  0.18  0.18  1.0
  Ru  Ru3  1  0.77  0.77  0.77  1.0

data_NaBeInRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   11.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaBeInRu
_chemical_formula_sum   'Na3 Be3 In3 Ru3'
_cell_volume   193.37
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Na  Na0  3  0.0  0.0  0.41  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  In  In2  3  0.0  0.0  0.82  1.0
  Ru  Ru3  3  0.0  0.0  0.23  1.0

Na Be In Ru
Na Be In Ru 0 3 o o o 1 2 o o o 
NaBeRuIn crystallizes in the trigonal R3m space group. Na(1) is bonded in a distorted single-bond geometry to three equivalent Be(1), one Ru(1), and three equivalent In(1) atoms. All Na(1)-Be(1) bond lengths are 2.73 Å. The Na(1)-Ru(1) bond length is 2.01 Å. All Na(1)-In(1) bond lengths are 2.73 Å. Be(1) is bonded in a 8-coordinate geometry to three equivalent Na(1), four equivalent Ru(1), and one In(1) atom. There is one shorter (2.50 Å) and three longer (2.85 Å) Be(1)-Ru(1) bond lengths. The Be(1)-In(1) bond length is 2.01 Å. Ru(1) is bonded in a distorted single-bond geometry to one Na(1), four equivalent Be(1), and three equivalent In(1) atoms. All Ru(1)-In(1) bond lengths are 2.73 Å. In(1) is bonded in a 7-coordinate geometry to three equivalent Na(1), one Be(1), and three equivalent Ru(1) atoms.