data_BaMoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMoRu2
_chemical_formula_sum   'Ba1 Mo1 Ru2'
_cell_volume   76.95
_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
  Ba  Ba0  1  0.5  0.5  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.5  0.54  1.0
  Ru  Ru3  1  0.5  0.0  0.54  1.0

data_BaMoRu2
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   BaMoRu2
_chemical_formula_sum   'Ba1 Mo1 Ru2'
_cell_volume   76.95
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.5  0.5  0.0  1.0
  Ru  Ru2  2  0.0  0.5  0.54  1.0

Ba Mo Ru Ru
BaMoRu2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mo(1) and eight equivalent Ru(1) atoms. There are a spread of Ba(1)-Mo(1) bond distances ranging from 3.52-3.55 Å. There are a spread of Ba(1)-Ru(1) bond distances ranging from 2.86-3.01 Å. Mo(1) is bonded in a 14-coordinate geometry to four equivalent Ba(1), two equivalent Mo(1), and eight equivalent Ru(1) atoms. Both Mo(1)-Mo(1) bond lengths are 3.08 Å. There are a spread of Mo(1)-Ru(1) bond distances ranging from 2.86-3.01 Å. Ru(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and four equivalent Mo(1) atoms.