data_BaP2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaP2Ru
_chemical_formula_sum   'Ba1 P2 Ru1'
_cell_volume   80.9
_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  0.52  0.52  0.0  1.0
  P  P1  1  0.52  0.0  0.59  1.0
  P  P2  1  0.0  0.52  0.59  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_BaP2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaP2Ru
_chemical_formula_sum   'Ba2 P4 Ru2'
_cell_volume   161.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.02  0.5  0.0  1.0
  P  P1  4  0.26  0.26  0.59  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0

Ba P P Ru
BaRuP2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Ru(1) and eight equivalent P(1) atoms. There are a spread of Ba(1)-Ru(1) bond distances ranging from 3.43-3.69 Å. There are a spread of Ba(1)-P(1) bond distances ranging from 2.75-3.23 Å. Ru(1) is bonded in a 14-coordinate geometry to four equivalent Ba(1), two equivalent Ru(1), and eight equivalent P(1) atoms. Both Ru(1)-Ru(1) bond lengths are 3.19 Å. There are a spread of Ru(1)-P(1) bond distances ranging from 2.75-3.23 Å. P(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Ru(1) atoms.