data_BaNbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbMo2
_chemical_formula_sum   'Ba1 Nb1 Mo2'
_cell_volume   79.53
_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  0.46  0.46  0.0  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.46  0.0  0.65  1.0
  Mo  Mo2  1  0.0  0.46  0.65  1.0

data_BaNbMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNbMo2
_chemical_formula_sum   'Ba2 Nb2 Mo4'
_cell_volume   159.06
_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  0.46  0.0  -0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  4  0.23  0.23  0.65  1.0

Ba Nb Mo Mo
BaNbMo2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 4-coordinate geometry to eight equivalent Mo(1) atoms. There are a spread of Ba(1)-Mo(1) bond distances ranging from 2.53-3.42 Å. Nb(1) is bonded in a 4-coordinate geometry to eight equivalent Mo(1) atoms. There are a spread of Nb(1)-Mo(1) bond distances ranging from 2.53-3.42 Å. Mo(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Nb(1) atoms.