data_MgTa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa3
_chemical_formula_sum   'Mg1 Ta3'
_cell_volume   74.74
_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  0.93  0.0  0.0  1.0
  Ta  Ta2  1  0.47  0.23  0.43  1.0
  Ta  Ta3  1  0.47  0.77  0.43  1.0

data_MgTa3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   113.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa3
_chemical_formula_sum   'Mg1 Ta3'
_cell_volume   74.74
_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  0.93  0.0  1.0
  Ta  Ta2  1  0.43  0.47  0.77  1.0
  Ta  Ta3  1  0.43  0.47  0.23  1.0

Mg Ta Ta Ta
Mg Ta Ta Ta 0 1 - o o 0 2 o o o 0 2 o o - 0 3 - - o 0 3 - - - 1 2 + o o 1 2 + o - 1 3 o - o 1 3 o - - 2 3 o o o 2 3 o - o 2 2 o o + 3 3 o o + 
MgTa3 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a single-bond geometry to one Ta(1), two equivalent Ta(2), and two equivalent Ta(3) atoms. The Mg(1)-Ta(1) bond length is 0.36 Å. There is one shorter (2.60 Å) and one longer (2.82 Å) Mg(1)-Ta(2) bond length. There is one shorter (3.42 Å) and one longer (3.59 Å) Mg(1)-Ta(3) bond length. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Mg(1) and two equivalent Ta(3) atoms. There is one shorter (2.60 Å) and one longer (2.82 Å) Ta(1)-Ta(3) bond length. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Ta(2), and two equivalent Ta(3) atoms. Both Ta(2)-Ta(2) bond lengths are 2.85 Å. There is one shorter (2.48 Å) and one longer (2.86 Å) Ta(2)-Ta(3) bond length. In the third Ta site, Ta(3) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Ta(1), two equivalent Ta(2), and two equivalent Ta(3) atoms. Both Ta(3)-Ta(3) bond lengths are 2.85 Å.