data_BaMgTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   151.91
_cell_angle_beta   126.6
_cell_angle_gamma   61.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgTa2
_chemical_formula_sum   'Ba1 Mg1 Ta2'
_cell_volume   106.35
_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  0.95  0.15  1.0
  Mg  Mg1  1  0.0  0.0  0.48  1.0
  Ta  Ta2  1  0.0  0.95  0.37  1.0
  Ta  Ta3  1  0.0  0.0  0.95  1.0

data_BaMgTa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.9
_cell_length_c   6.57
_cell_angle_alpha   116.7
_cell_angle_beta   104.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgTa2
_chemical_formula_sum   'Ba1 Mg1 Ta2'
_cell_volume   106.35
_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  0.85  0.8  0.8  1.0
  Mg  Mg1  1  0.52  0.52  0.52  1.0
  Ta  Ta2  1  0.05  0.05  0.05  1.0
  Ta  Ta3  1  0.63  0.58  0.58  1.0

Ba Mg Ta Ta
BaMgTa2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaMgTa2 cluster. Ba(1) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom. The Ba(1)-Ta(1) bond length is 1.45 Å. The Ba(1)-Ta(2) bond length is 1.55 Å. Mg(1) is bonded in a single-bond geometry to one Ta(1) atom. The Mg(1)-Ta(1) bond length is 0.46 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mg(1) atom. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Ba(1) atom.