data_TaMn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.25
_cell_angle_alpha   109.2
_cell_angle_beta   109.2
_cell_angle_gamma   41.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2As
_chemical_formula_sum   'Ta1 Mn2 As1'
_cell_volume   57.07
_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
  Ta  Ta3  1  0.59  0.0  0.99  1.0
  Mn  Mn1  1  0.08  0.0  0.03  1.0
  Mn  Mn2  1  0.1  0.0  0.95  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_TaMn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.25
_cell_length_c   4.64
_cell_angle_alpha   109.2
_cell_angle_beta   110.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2As
_chemical_formula_sum   'Ta1 Mn2 As1'
_cell_volume   57.07
_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
  Ta  Ta0  1  0.0  0.99  0.59  1.0
  Mn  Mn1  1  0.0  0.03  0.08  1.0
  Mn  Mn2  1  0.0  0.95  0.1  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Ta Mn Mn As
Ta Mn Mn As 0 1 o o + 0 1 + o + 0 2 o o o 0 2 + o o 0 3 + o + 1 3 o o o 1 2 o o - 
TaMn2As crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TaMn2As cluster. Ta(1) is bonded in a distorted single-bond geometry to one As(1) atom. The Ta(1)-As(1) bond length is 1.90 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted water-like geometry to one Mn(2) and one As(1) atom. The Mn(1)-Mn(2) bond length is 0.40 Å. The Mn(1)-As(1) bond length is 0.33 Å. In the second Mn site, Mn(2) is bonded in a 1-coordinate geometry to one Mn(1) atom. As(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Mn(1) atom.