data_SrMn2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMn2Be
_chemical_formula_sum   'Sr1 Mn2 Be1'
_cell_volume   63.66
_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  0.31  1.0
  Mn  Mn1  1  0.55  0.55  0.96  1.0
  Mn  Mn2  1  0.55  0.55  0.65  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_SrMn2Be
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrMn2Be
_chemical_formula_sum   'Sr2 Mn4 Be2'
_cell_volume   127.32
_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  0.31  1.0
  Mn  Mn1  2  0.05  0.5  0.65  1.0
  Mn  Mn2  2  0.05  0.5  0.96  1.0
  Be  Be3  2  0.0  0.0  0.0  1.0

Sr Mn Mn Be
Sr Mn Mn Be 0 3 o o o 1 3 o o + 1 3 o + + 1 3 + o + 1 3 + + + 1 2 o o o 
SrBeMn2 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a distorted single-bond geometry to one Be(1) and four equivalent Mn(2) atoms. The Sr(1)-Be(1) bond length is 2.03 Å. There are a spread of Sr(1)-Mn(2) bond distances ranging from 3.02-3.33 Å. Be(1) is bonded in a 5-coordinate geometry to one Sr(1) and four equivalent Mn(1) atoms. There are a spread of Be(1)-Mn(1) bond distances ranging from 1.99-2.43 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to four equivalent Be(1) and one Mn(2) atom. The Mn(1)-Mn(2) bond length is 2.02 Å. In the second Mn site, Mn(2) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one Mn(1), and four equivalent Mn(2) atoms. All Mn(2)-Mn(2) bond lengths are 3.10 Å.