data_Sr3Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   10.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Mn
_chemical_formula_sum   'Sr3 Mn1'
_cell_volume   150.8
_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  Sr1  1  0.92  0.92  0.79  1.0
  Sr  Sr2  1  0.0  0.0  0.11  1.0
  Sr  Sr3  1  0.92  0.92  0.44  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0

data_Sr3Mn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   10.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr3Mn
_chemical_formula_sum   'Sr6 Mn2'
_cell_volume   301.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.11  1.0
  Sr  Sr1  2  0.42  0.5  0.44  1.0
  Sr  Sr2  2  0.42  0.5  0.79  1.0
  Mn  Mn3  2  0.0  0.0  0.0  1.0

Sr Sr Sr Mn
Sr3Mn crystallizes in the monoclinic Cm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one Sr(3) and one Mn(1) atom. The Sr(1)-Sr(3) bond length is 3.64 Å. The Sr(1)-Mn(1) bond length is 2.18 Å. In the second Sr site, Sr(2) is bonded in a single-bond geometry to one Sr(3) and one Mn(1) atom. The Sr(2)-Sr(3) bond length is 3.32 Å. The Sr(2)-Mn(1) bond length is 1.16 Å. In the third Sr site, Sr(3) is bonded to one Sr(1), one Sr(2), and four equivalent Sr(3) atoms to form a mixture of corner and edge-sharing SrSr6 octahedra. The corner-sharing octahedra are not tilted. All Sr(3)-Sr(3) bond lengths are 3.84 Å. Mn(1) is bonded in a distorted linear geometry to one Sr(1) and one Sr(2) atom.