data_Sr2MnRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MnRe
_chemical_formula_sum   'Sr2 Mn1 Re1'
_cell_volume   87.31
_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  Sr2  1  0.52  0.52  0.52  1.0
  Sr  Sr3  1  0.28  0.28  0.28  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.76  0.76  0.76  1.0

data_Sr2MnRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   12.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr2MnRe
_chemical_formula_sum   'Sr6 Mn3 Re3'
_cell_volume   261.93
_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  3  0.0  0.0  0.48  1.0
  Sr  Sr1  3  0.0  0.0  0.72  1.0
  Mn  Mn2  3  0.0  0.0  0.0  1.0
  Re  Re3  3  0.0  0.0  0.24  1.0

Sr Sr Mn Re
Sr2ReMn crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent Re(1) and six equivalent Mn(1) atoms to form a mixture of distorted face and corner-sharing SrMn6Re4 tetrahedra. There is one shorter (2.92 Å) and three longer (3.09 Å) Sr(1)-Re(1) bond lengths. There are three shorter (3.38 Å) and three longer (3.68 Å) Sr(1)-Mn(1) bond lengths. In the second Sr site, Sr(2) is bonded in a 3-coordinate geometry to six equivalent Re(1) and four equivalent Mn(1) atoms. There are three shorter (3.38 Å) and three longer (3.68 Å) Sr(2)-Re(1) bond lengths. There are three shorter (2.94 Å) and one longer (3.44 Å) Sr(2)-Mn(1) bond length. Re(1) is bonded in a 14-coordinate geometry to four equivalent Sr(1), six equivalent Sr(2), and four equivalent Mn(1) atoms. There is one shorter (2.92 Å) and three longer (3.09 Å) Re(1)-Mn(1) bond lengths. Mn(1) is bonded in a 14-coordinate geometry to four equivalent Sr(2), six equivalent Sr(1), and four equivalent Re(1) atoms.