data_YMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   63.51
_cell_angle_beta   63.51
_cell_angle_gamma   63.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2
_chemical_formula_sum   'Y2 Mn4'
_cell_volume   97.34
_cell_formula_units_Z   2
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  Y4  1  0.0  0.0  0.48  1.0
  Y  Y5  1  0.0  0.0  0.52  1.0
  Mn  Mn0  1  0.33  0.77  1.0  1.0
  Mn  Mn1  1  0.0  0.47  1.0  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.67  0.77  1.0  1.0

data_YMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   63.51
_cell_angle_beta   63.51
_cell_angle_gamma   63.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2
_chemical_formula_sum   'Y2 Mn4'
_cell_volume   97.34
_cell_formula_units_Z   2
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  Y0  1  0.0  0.0  0.48  1.0
  Y  Y1  1  0.0  0.0  0.52  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.23  0.33  0.0  1.0
  Mn  Mn4  1  0.23  0.67  0.0  1.0
  Mn  Mn5  1  0.53  -0.0  0.0  1.0

Y Y Mn Mn Mn Mn
Y Y Mn Mn Mn Mn 0 1 o o o 2 4 o + + 2 5 o o o 3 5 - o o 
YMn2 crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted single-bond geometry to one Y(2), one Mn(2), and one Mn(3) atom. The Y(1)-Y(2) bond length is 0.18 Å. The Y(1)-Mn(2) bond length is 2.52 Å. The Y(1)-Mn(3) bond length is 2.42 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Y(1), one Mn(3), and one Mn(4) atom. The Y(2)-Mn(3) bond length is 2.43 Å. The Y(2)-Mn(4) bond length is 2.37 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to one Mn(3) and one Mn(4) atom. The Mn(1)-Mn(3) bond length is 1.53 Å. The Mn(1)-Mn(4) bond length is 1.76 Å. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one Y(1), one Mn(3), and one Mn(4) atom. The Mn(2)-Mn(3) bond length is 2.36 Å. The Mn(2)-Mn(4) bond length is 1.65 Å. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one Y(1), one Y(2), one Mn(1), one Mn(2), and one Mn(4) atom. The Mn(3)-Mn(4) bond length is 2.41 Å. In the fourth Mn site, Mn(4) is bonded in a 3-coordinate geometry to one Y(2), one Mn(1), one Mn(2), and one Mn(3) atom.