data_Mn2BeZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeZn
_chemical_formula_sum   'Mn2 Be1 Zn1'
_cell_volume   46.71
_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
  Mn  Mn1  1  0.39  0.39  0.35  1.0
  Mn  Mn2  1  0.39  0.39  0.71  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.03  1.0

data_Mn2BeZn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2BeZn
_chemical_formula_sum   'Mn4 Be2 Zn2'
_cell_volume   93.41
_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
  Mn  Mn0  2  0.39  0.0  0.35  1.0
  Mn  Mn1  2  0.39  0.0  0.71  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0
  Zn  Zn3  2  0.0  0.0  0.03  1.0

Mn Mn Be Zn
Mn Mn Be Zn 0 3 o o o 0 3 o + o 0 3 + o o 0 2 o o o 0 2 o + o 0 2 + o o 0 0 + o o 0 0 o + o 0 1 o o o 1 3 o o + 1 3 o + + 1 3 + o + 1 2 o o + 1 2 o + + 1 2 + o + 1 1 + o o 1 1 o + o 2 3 o o o 
BeMn2Zn crystallizes in the monoclinic Cm space group. Be(1) is bonded in a single-bond geometry to four Mn(2,2) and one Zn(1) atom. There are a spread of Be(1)-Mn(2,2) bond distances ranging from 2.35-2.99 Å. The Be(1)-Zn(1) bond length is 0.16 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 9-coordinate geometry to one Mn(2), four equivalent Mn(1), and four equivalent Zn(1) atoms. The Mn(1)-Mn(2) bond length is 2.18 Å. All Mn(1)-Mn(1) bond lengths are 2.78 Å. There are a spread of Mn(1)-Zn(1) bond distances ranging from 2.47-3.08 Å. In the second Mn site, Mn(2) is bonded in a 9-coordinate geometry to four equivalent Be(1), one Mn(1), and four equivalent Mn(2) atoms. All Mn(2)-Mn(2) bond lengths are 2.78 Å. In the third Mn site, Mn(2) is bonded in a 9-coordinate geometry to four equivalent Be(1), one Mn(1), and four equivalent Mn(2) atoms. The Mn(2)-Mn(1) bond length is 2.18 Å. Zn(1) is bonded in a single-bond geometry to one Be(1) and four equivalent Mn(1) atoms.