data_MgTa2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2Zn
_chemical_formula_sum   'Mg1 Ta2 Zn1'
_cell_volume   72.05
_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  0.39  1.0
  Ta  Ta1  1  0.76  0.0  0.04  1.0
  Ta  Ta2  1  0.0  0.0  0.79  1.0
  Zn  Zn3  1  0.76  0.0  0.62  1.0

data_MgTa2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2Zn
_chemical_formula_sum   'Mg1 Ta2 Zn1'
_cell_volume   72.05
_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  0.39  1.0
  Ta  Ta1  1  0.0  0.0  0.79  1.0
  Ta  Ta2  1  0.76  0.0  0.04  1.0
  Zn  Zn3  1  0.76  0.0  0.62  1.0

Mg Ta Ta Zn
MgTa2Zn crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Zn(1) atom. The Mg(1)-Ta(1) bond length is 3.29 Å. The Mg(1)-Zn(1) bond length is 2.18 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to one Mg(1), one Ta(2), and four equivalent Ta(1) atoms. The Ta(1)-Ta(2) bond length is 2.36 Å. All Ta(1)-Ta(1) bond lengths are 2.85 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Ta(1) and one Zn(1) atom. The Ta(2)-Zn(1) bond length is 1.73 Å. Zn(1) is bonded in a 2-coordinate geometry to one Mg(1) and one Ta(2) atom.