data_Sr4YMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4YMn
_chemical_formula_sum   'Sr4 Y1 Mn1'
_cell_volume   267.04
_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
  Sr  Sr1  1  0.39  0.39  0.83  1.0
  Sr  Sr2  1  0.39  0.83  0.39  1.0
  Sr  Sr3  1  0.83  0.39  0.39  1.0
  Sr  Sr4  1  0.83  0.83  0.83  1.0
  Y  Y5  1  0.67  0.67  0.67  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0

data_Sr4YMn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   17.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr4YMn
_chemical_formula_sum   'Sr12 Y3 Mn3'
_cell_volume   801.11
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Sr  Sr0  9  0.04  0.52  0.13  1.0
  Sr  Sr1  3  0.0  0.0  0.17  1.0
  Y  Y2  3  0.0  0.0  0.33  1.0
  Mn  Mn3  3  0.0  0.0  0.0  1.0

Sr Sr Sr Sr Y Mn
Sr Sr Sr Sr Y Mn 0 3 - o o 0 3 o - o 0 2 o o o 0 1 o o o 0 4 o o o 1 3 - o o 1 3 o o - 1 4 o o o 1 2 o o o 2 3 o - o 2 3 o o - 2 4 o o o 3 4 o o o 3 5 + + + 
Sr4YMn is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Sr4YMn clusters. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to one Y(1) atom. The Sr(1)-Y(1) bond length is 2.94 Å. In the second Sr site, Sr(2) is bonded in a linear geometry to one Y(1) and one Mn(1) atom. The Sr(2)-Y(1) bond length is 2.94 Å. The Sr(2)-Mn(1) bond length is 2.97 Å. Y(1) is bonded in a 4-coordinate geometry to one Sr(2) and three equivalent Sr(1) atoms. Mn(1) is bonded in a single-bond geometry to one Sr(2) atom.