data_Ba2SrMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrMg
_chemical_formula_sum   'Ba2 Sr1 Mg1'
_cell_volume   198.96
_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
  Ba  Ba0  1  0.28  0.7  0.37  1.0
  Ba  Ba1  1  0.28  0.3  0.37  1.0
  Sr  Sr3  1  0.55  0.0  0.0  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0

data_Ba2SrMg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.75
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2SrMg
_chemical_formula_sum   'Ba2 Sr1 Mg1'
_cell_volume   198.97
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ba  Ba0  2  0.37  0.3  0.28  1.0
  Sr  Sr1  1  0.0  0.0  0.55  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0

Ba Ba Sr Mg
Ba2SrMg crystallizes in the monoclinic Pm space group. Ba(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), and two equivalent Mg(1) atoms. The Ba(1)-Ba(1) bond length is 2.58 Å. There is one shorter (3.19 Å) and one longer (3.98 Å) Ba(1)-Sr(1) bond length. There is one shorter (3.19 Å) and one longer (3.98 Å) Ba(1)-Mg(1) bond length. Sr(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Mg(1) atoms. There is one shorter (2.90 Å) and one longer (3.57 Å) Sr(1)-Mg(1) bond length. Mg(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Sr(1) atoms.