data_Y2TaMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.7
_cell_length_b   9.7
_cell_length_c   9.7
_cell_angle_alpha   19.75
_cell_angle_beta   19.75
_cell_angle_gamma   19.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TaMn
_chemical_formula_sum   'Y2 Ta1 Mn1'
_cell_volume   91.11
_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
  Y  Y2  1  0.0  0.0  0.29  1.0
  Y  Y3  1  0.0  0.0  0.58  1.0
  Ta  Ta1  1  0.0  0.0  0.93  1.0
  Mn  Mn0  1  0.0  0.0  0.98  1.0

data_Y2TaMn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   3.33
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   101.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2TaMn
_chemical_formula_sum   'Y4 Ta2 Mn2'
_cell_volume   182.21
_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
  Y  Y0  2  0.0  0.0  0.42  1.0
  Y  Y1  2  0.0  0.0  0.71  1.0
  Ta  Ta2  2  0.0  0.0  0.07  1.0
  Mn  Mn3  2  0.0  0.0  0.02  1.0

Y Y Ta Mn
Y2TaMn crystallizes in the monoclinic Cm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 1-coordinate geometry to one Y(2) and one Mn(1) atom. The Y(1)-Y(2) bond length is 2.89 Å. The Y(1)-Mn(1) bond length is 2.94 Å. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one Y(1), six equivalent Y(2), and one Ta(1) atom. All Y(2)-Y(2) bond lengths are 3.33 Å. The Y(2)-Ta(1) bond length is 3.36 Å. Ta(1) is bonded in a single-bond geometry to one Y(2) and one Mn(1) atom. The Ta(1)-Mn(1) bond length is 0.52 Å. Mn(1) is bonded in a single-bond geometry to one Y(1) and one Ta(1) atom.