data_SrMg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg5
_chemical_formula_sum   'Sr1 Mg5'
_cell_volume   165.06
_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  Sr5  1  0.18  0.18  0.18  1.0
  Mg  Mg0  1  0.26  0.26  0.44  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.44  0.26  0.26  1.0
  Mg  Mg3  1  0.44  0.44  0.44  1.0
  Mg  Mg4  1  0.26  0.44  0.26  1.0

data_SrMg5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   15.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrMg5
_chemical_formula_sum   'Sr3 Mg15'
_cell_volume   495.19
_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  0.82  1.0
  Mg  Mg1  9  0.06  0.12  0.68  1.0
  Mg  Mg2  3  0.0  0.0  0.0  1.0
  Mg  Mg3  3  0.0  0.0  0.56  1.0

Sr Mg Mg Mg Mg Mg
SrMg5 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 7-coordinate geometry to one Mg(2), three equivalent Mg(1), and three equivalent Mg(3) atoms. The Sr(1)-Mg(2) bond length is 2.67 Å. All Sr(1)-Mg(1) bond lengths are 2.31 Å. All Sr(1)-Mg(3) bond lengths are 3.69 Å. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one Sr(1), one Mg(2), one Mg(3), and two equivalent Mg(1) atoms. The Mg(1)-Mg(2) bond length is 2.92 Å. The Mg(1)-Mg(3) bond length is 1.93 Å. Both Mg(1)-Mg(1) bond lengths are 1.11 Å. In the second Mg site, Mg(2) is bonded in a distorted trigonal pyramidal geometry to one Sr(1) and three equivalent Mg(1) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to three equivalent Sr(1) and three equivalent Mg(1) atoms.