data_MgTa2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   119.18
_cell_angle_beta   119.18
_cell_angle_gamma   91.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2Mn
_chemical_formula_sum   'Mg1 Ta2 Mn1'
_cell_volume   64.46
_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  Ta2  1  0.0  0.27  0.57  1.0
  Ta  Ta3  1  0.27  0.0  0.57  1.0
  Mn  Mn1  1  0.0  0.0  0.13  1.0

data_MgTa2Mn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.26
_cell_length_b   6.42
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   134.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTa2Mn
_chemical_formula_sum   'Mg2 Ta4 Mn2'
_cell_volume   128.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ta  Ta1  4  0.37  0.37  0.43  1.0
  Mn  Mn2  2  0.0  0.0  0.87  1.0

Mg Ta Ta Mn
MgTa2Mn crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a single-bond geometry to four equivalent Ta(1) and one Mn(1) atom. There are two shorter (2.75 Å) and two longer (2.88 Å) Mg(1)-Ta(1) bond lengths. The Mg(1)-Mn(1) bond length is 0.58 Å. Ta(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Ta(1), and one Mn(1) atom. The Ta(1)-Ta(1) bond length is 1.73 Å. The Ta(1)-Mn(1) bond length is 1.72 Å. Mn(1) is bonded in a single-bond geometry to one Mg(1) and two equivalent Ta(1) atoms.