data_BaInMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   153.62
_cell_angle_beta   126.4
_cell_angle_gamma   60.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInMo2
_chemical_formula_sum   'Ba1 In1 Mo2'
_cell_volume   91.4
_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  0.0  0.0  0.49  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.87  0.97  1.0
  Mo  Mo3  1  0.45  0.0  0.52  1.0

data_BaInMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.74
_cell_length_c   6.36
_cell_angle_alpha   116.8
_cell_angle_beta   103.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInMo2
_chemical_formula_sum   'Ba1 In1 Mo2'
_cell_volume   91.4
_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  0.51  0.51  0.51  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.03  0.9  0.9  1.0
  Mo  Mo3  1  0.94  0.48  0.94  1.0

Ba In Mo Mo
BaMo2In crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mo(1), four equivalent Mo(2), and two equivalent In(1) atoms. Both Ba(1)-Ba(1) bond lengths are 2.90 Å. There is one shorter (2.56 Å) and one longer (3.08 Å) Ba(1)-Mo(1) bond length. There are a spread of Ba(1)-Mo(2) bond distances ranging from 2.77-4.06 Å. There is one shorter (3.25 Å) and one longer (3.83 Å) Ba(1)-In(1) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to two equivalent Ba(1), one Mo(2), and one In(1) atom. The Mo(1)-Mo(2) bond length is 2.51 Å. The Mo(1)-In(1) bond length is 0.69 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Mo(1), two equivalent Mo(2), and one In(1) atom. Both Mo(2)-Mo(2) bond lengths are 2.90 Å. The Mo(2)-In(1) bond length is 2.98 Å. In(1) is bonded in a single-bond geometry to two equivalent Ba(1), one Mo(1), and one Mo(2) atom.