data_Sr2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21
_cell_length_b   8.64
_cell_length_c   4.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Mg
_chemical_formula_sum   'Sr4 Mg2'
_cell_volume   293.08
_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
  Sr  Sr2  1  0.66  0.68  0.0  1.0
  Sr  Sr3  1  0.55  0.96  0.0  1.0
  Sr  Sr4  1  0.76  0.27  0.07  1.0
  Sr  Sr5  1  0.45  0.36  0.07  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.1  0.32  0.07  1.0

data_Sr2Mg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   8.21
_cell_length_c   8.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Mg
_chemical_formula_sum   'Sr4 Mg2'
_cell_volume   293.08
_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
  Sr  Sr0  1  0.0  0.55  0.96  1.0
  Sr  Sr1  1  0.0  0.66  0.68  1.0
  Sr  Sr2  1  0.07  0.45  0.36  1.0
  Sr  Sr3  1  0.07  0.76  0.27  1.0
  Mg  Mg4  1  0.0  0.0  0.0  1.0
  Mg  Mg5  1  0.07  0.1  0.32  1.0

Sr Sr Sr Sr Mg Mg
Sr2Mg1 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), two equivalent Sr(1), and one Mg(1) atom. The Sr(1)-Sr(2) bond length is 2.51 Å. The Sr(1)-Sr(3) bond length is 3.65 Å. The Sr(1)-Sr(4) bond length is 3.28 Å. Both Sr(1)-Sr(1) bond lengths are 4.13 Å. The Sr(1)-Mg(1) bond length is 3.91 Å. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), two equivalent Sr(2), and one Mg(1) atom. The Sr(2)-Sr(3) bond length is 3.28 Å. The Sr(2)-Sr(4) bond length is 3.65 Å. Both Sr(2)-Sr(2) bond lengths are 4.13 Å. The Sr(2)-Mg(1) bond length is 3.71 Å. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), two equivalent Sr(3), one Mg(1), and one Mg(2) atom. The Sr(3)-Sr(4) bond length is 2.73 Å. Both Sr(3)-Sr(3) bond lengths are 4.13 Å. The Sr(3)-Mg(1) bond length is 3.07 Å. The Sr(3)-Mg(2) bond length is 2.82 Å. In the fourth Sr site, Sr(4) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one Mg(2) atom. The Sr(4)-Mg(2) bond length is 2.82 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one Mg(2) atom. The Mg(1)-Mg(2) bond length is 2.90 Å. In the second Mg site, Mg(2) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), and one Mg(1) atom.