data_SrEr2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrEr2Re
_chemical_formula_sum   'Sr1 Er2 Re1'
_cell_volume   99.01
_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  Sr3  1  0.0  0.0  0.0  1.0
  Er  Er0  1  0.84  0.84  0.84  1.0
  Er  Er1  1  0.51  0.51  0.51  1.0
  Re  Re2  1  0.67  0.67  0.67  1.0

data_SrEr2Re
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrEr2Re
_chemical_formula_sum   'Sr3 Er6 Re3'
_cell_volume   297.04
_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  0.0  1.0
  Er  Er1  3  0.0  0.0  0.16  1.0
  Er  Er2  3  0.0  0.0  0.49  1.0
  Re  Re3  3  0.0  0.0  0.33  1.0

Sr Er Er Re
Sr Er Er Re 0 1 - - - 1 3 o o o 2 3 o o o 
SrEr2Re crystallizes in the trigonal R3m space group. Sr(1) is bonded to one Er(1) and three equivalent Re(1) atoms to form distorted SrErRe3 trigonal pyramids that share  a cornercorner with one Re(1)Sr3Er2 trigonal bipyramid and corners with six equivalent Sr(1)ErRe3 trigonal pyramids. The Sr(1)-Er(1) bond length is 2.09 Å. All Sr(1)-Re(1) bond lengths are 3.00 Å. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a distorted linear geometry to one Sr(1) and one Re(1) atom. The Er(1)-Re(1) bond length is 2.09 Å. In the second Er site, Er(2) is bonded in a single-bond geometry to one Re(1) atom. The Er(2)-Re(1) bond length is 2.09 Å. Re(1) is bonded to three equivalent Sr(1), one Er(1), and one Er(2) atom to form distorted ReSr3Er2 trigonal bipyramids that share corners with six equivalent Re(1)Sr3Er2 trigonal bipyramids and  a cornercorner with one Sr(1)ErRe3 trigonal pyramid.