data_Mg2TaIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   5.14
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   94.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TaIn
_chemical_formula_sum   'Mg2 Ta1 In1'
_cell_volume   82.18
_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  Mg1  1  0.22  0.57  0.46  1.0
  Mg  Mg2  1  0.32  0.57  0.98  1.0
  Ta  Ta3  1  0.27  0.0  0.72  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_Mg2TaIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.14
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   94.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TaIn
_chemical_formula_sum   'Mg2 Ta1 In1'
_cell_volume   82.18
_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  0.22  0.57  0.46  1.0
  Mg  Mg1  1  0.32  0.57  0.98  1.0
  Ta  Ta2  1  0.27  0.0  0.72  1.0
  In  In3  1  0.0  0.0  0.0  1.0

Mg Mg Ta In
Mg2TaIn crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Ta(1), and one In(1) atom. Both Mg(1)-Mg(1) bond lengths are 2.94 Å. There is one shorter (2.64 Å) and one longer (2.85 Å) Mg(1)-Mg(2) bond length. There is one shorter (2.64 Å) and one longer (3.25 Å) Mg(1)-Ta(1) bond length. The Mg(1)-In(1) bond length is 3.35 Å. In the second Mg site, Mg(2) is bonded in a 1-coordinate geometry to two equivalent Mg(1) and one In(1) atom. The Mg(2)-In(1) bond length is 2.42 Å. Ta(1) is bonded in a distorted single-bond geometry to two equivalent Mg(1) and one In(1) atom. The Ta(1)-In(1) bond length is 1.79 Å. In(1) is bonded in a 1-coordinate geometry to one Mg(1), one Mg(2), and one Ta(1) atom.