data_Mn2BeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.58
_cell_angle_alpha   111.47
_cell_angle_beta   111.47
_cell_angle_gamma   47.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeBi
_chemical_formula_sum   'Mn2 Be1 Bi1'
_cell_volume   60.74
_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  Mn2  1  0.77  0.0  0.44  1.0
  Mn  Mn3  1  0.51  0.0  0.76  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.14  0.0  0.1  1.0

data_Mn2BeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.43
_cell_length_c   4.58
_cell_angle_alpha   111.47
_cell_angle_beta   90.0
_cell_angle_gamma   113.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeBi
_chemical_formula_sum   'Mn2 Be1 Bi1'
_cell_volume   60.74
_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  Mn0  1  0.0  0.23  0.56  1.0
  Mn  Mn1  1  0.0  0.49  0.24  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.86  0.9  1.0

Mn Mn Be Bi
Mn Mn Be Bi 0 3 o o o 0 3 + o o 0 1 o o o 0 2 + o o 0 2 + o + 1 2 + o + 2 3 o o o 
BeMn2Bi crystallizes in the triclinic P1 space group. Be(1) is bonded in a single-bond geometry to one Mn(2), two equivalent Mn(1), and one Bi(1) atom. The Be(1)-Mn(2) bond length is 2.04 Å. There is one shorter (2.39 Å) and one longer (2.56 Å) Be(1)-Mn(1) bond length. The Be(1)-Bi(1) bond length is 0.63 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to two equivalent Be(1), one Mn(2), and three equivalent Bi(1) atoms. The Mn(1)-Mn(2) bond length is 2.16 Å. There are two shorter (2.65 Å) and one longer (3.43 Å) Mn(1)-Bi(1) bond length. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one Be(1), one Mn(1), and two equivalent Bi(1) atoms. There is one shorter (2.65 Å) and one longer (2.86 Å) Mn(2)-Bi(1) bond length. Bi(1) is bonded in a single-bond geometry to one Be(1), two equivalent Mn(2), and three equivalent Mn(1) atoms.