data_MnBeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeAs2
_chemical_formula_sum   'Mn1 Be1 As2'
_cell_volume   59.37
_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  Mn3  1  0.49  0.49  0.77  1.0
  Be  Be2  1  0.0  0.0  0.7  1.0
  As  As0  1  0.0  0.0  0.03  1.0
  As  As1  1  0.49  0.49  0.27  1.0

data_MnBeAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBeAs2
_chemical_formula_sum   'Mn2 Be2 As4'
_cell_volume   118.75
_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  0.49  0.0  0.77  1.0
  Be  Be1  2  0.0  0.0  0.7  1.0
  As  As2  2  0.0  0.0  0.03  1.0
  As  As3  2  0.49  0.0  0.27  1.0

Mn Be As As
BeMnAs2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a 5-coordinate geometry to four equivalent Mn(1) and one As(1) atom. There are a spread of Be(1)-Mn(1) bond distances ranging from 2.10-2.21 Å. The Be(1)-As(1) bond length is 2.20 Å. Mn(1) is bonded in a 8-coordinate geometry to four equivalent Be(1), one As(2), and four equivalent As(1) atoms. The Mn(1)-As(2) bond length is 3.38 Å. There are a spread of Mn(1)-As(1) bond distances ranging from 2.69-2.77 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted single-bond geometry to one Be(1), four equivalent Mn(1), and four equivalent As(2) atoms. There are a spread of As(1)-As(2) bond distances ranging from 2.60-2.68 Å. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Mn(1), four equivalent As(1), and four equivalent As(2) atoms. All As(2)-As(2) bond lengths are 2.97 Å.