data_SrMgMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgMn2
_chemical_formula_sum   'Sr1 Mg1 Mn2'
_cell_volume   90.31
_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  Sr3  1  0.0  0.0  0.8  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.39  0.0  0.41  1.0
  Mn  Mn2  1  0.39  0.0  0.19  1.0

data_SrMgMn2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrMgMn2
_chemical_formula_sum   'Sr1 Mg1 Mn2'
_cell_volume   90.39
_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
  Sr  Sr0  1  0.0  0.0  0.8  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.39  0.0  0.19  1.0
  Mn  Mn3  1  0.39  0.0  0.41  1.0

Sr Mg Mn Mn
SrMgMn2 crystallizes in the monoclinic Pm space group. Sr(1) is bonded in a distorted single-bond geometry to one Mg(1) and two equivalent Mn(1) atoms. The Sr(1)-Mg(1) bond length is 1.51 Å. There is one shorter (3.27 Å) and one longer (3.66 Å) Sr(1)-Mn(1) bond length. Mg(1) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Mn(2) atoms. There is one shorter (1.99 Å) and one longer (2.59 Å) Mg(1)-Mn(2) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to two equivalent Sr(1), one Mn(2), and four equivalent Mn(1) atoms. The Mn(1)-Mn(2) bond length is 1.63 Å. All Mn(1)-Mn(1) bond lengths are 3.45 Å. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Mn(1) atom.