data_BaTc2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.75
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTc2Mo
_chemical_formula_sum   'Ba1 Tc2 Mo1'
_cell_volume   75.27
_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  0.6  0.0  0.47  1.0
  Tc  Tc2  1  0.0  0.38  0.47  1.0
  Tc  Tc3  1  0.6  0.38  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_BaTc2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.75
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTc2Mo
_chemical_formula_sum   'Ba1 Tc2 Mo1'
_cell_volume   75.27
_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  0.6  0.0  0.47  1.0
  Tc  Tc1  1  0.0  0.38  0.47  1.0
  Tc  Tc2  1  0.6  0.38  -0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Ba Tc Tc Mo
Ba Tc Tc Mo 0 1 o o o 0 1 + o o 0 3 + o o 0 3 + o + 0 2 o o o 1 2 - o o 1 2 - o + 1 3 o o o 2 3 o o o 2 3 + o o 
BaMoTc2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 1-coordinate geometry to four equivalent Mo(1) and one Tc(1) atom. There are a spread of Ba(1)-Mo(1) bond distances ranging from 2.66-3.24 Å. The Ba(1)-Tc(1) bond length is 2.20 Å. Mo(1) is bonded in a 7-coordinate geometry to four equivalent Ba(1) and three equivalent Tc(2) atoms. There are a spread of Mo(1)-Tc(2) bond distances ranging from 2.20-3.23 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 1-coordinate geometry to one Ba(1) atom. In the second Tc site, Tc(2) is bonded in a 1-coordinate geometry to three equivalent Mo(1) atoms.