data_MgTaBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.55
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaBr2
_chemical_formula_sum   'Mg1 Ta1 Br2'
_cell_volume   88.02
_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  Mg2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.59  0.0  0.05  1.0
  Br  Br0  1  0.59  0.28  0.0  1.0
  Br  Br1  1  0.0  0.28  0.05  1.0

data_MgTaBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.55
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaBr2
_chemical_formula_sum   'Mg1 Ta1 Br2'
_cell_volume   88.02
_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  0.59  0.0  0.05  1.0
  Br  Br2  1  0.0  0.28  0.05  1.0
  Br  Br3  1  0.59  0.28  -0.0  1.0

Mg Ta Br Br
MgBrBrTa crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BrTa cluster and one MgBr cluster. In the BrTa cluster, Ta(1) is bonded in a distorted single-bond geometry to one Br(1) atom. The Ta(1)-Br(1) bond length is 1.29 Å. Br(1) is bonded in a single-bond geometry to one Ta(1) atom. In the MgBr cluster, Mg(1) is bonded in a distorted single-bond geometry to one Br(2) atom. The Mg(1)-Br(2) bond length is 1.29 Å. Br(2) is bonded in a single-bond geometry to one Mg(1) atom.