data_MgTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   147.26
_cell_angle_beta   133.21
_cell_angle_gamma   58.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2
_chemical_formula_sum   'Mg1 Ta2'
_cell_volume   56.34
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.02  1.0
  Ta  Ta2  1  0.0  0.0  0.14  1.0

data_MgTa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.16
_cell_length_c   5.24
_cell_angle_alpha   113.4
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2
_chemical_formula_sum   'Mg1 Ta2'
_cell_volume   56.34
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.02  0.02  1.0
  Ta  Ta2  1  0.0  0.14  0.14  1.0

Mg Ta Ta
Mg Ta Ta 0 1 o o o 0 2 o o o 1 2 o o o 
MgTa2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgTa2 cluster. Mg(1) is bonded in a single-bond geometry to one Ta(1) atom. The Mg(1)-Ta(1) bond length is 0.09 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted linear geometry to one Mg(1) and one Ta(2) atom. The Ta(1)-Ta(2) bond length is 0.65 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Ta(1) atom.