data_NaBeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeAs2
_chemical_formula_sum   'Na1 Be1 As2'
_cell_volume   71.33
_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
  Na  Na3  1  0.0  0.0  0.83  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.53  0.53  0.18  1.0
  As  As1  1  0.53  0.53  0.47  1.0

data_NaBeAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaBeAs2
_chemical_formula_sum   'Na2 Be2 As4'
_cell_volume   142.67
_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
  Na  Na0  2  0.0  0.0  0.83  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  As  As2  2  0.03  0.5  0.18  1.0
  As  As3  2  0.03  0.5  0.47  1.0

Na Be As As
Na Be As As 0 1 o o + 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 2 3 o o o 
NaBeAs2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a single-bond geometry to one Be(1) and four equivalent As(2) atoms. The Na(1)-Be(1) bond length is 1.33 Å. There are a spread of Na(1)-As(2) bond distances ranging from 3.39-3.53 Å. Be(1) is bonded in a distorted single-bond geometry to one Na(1) and four equivalent As(1) atoms. There are a spread of Be(1)-As(1) bond distances ranging from 2.46-2.66 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 5-coordinate geometry to four equivalent Be(1) and one As(2) atom. The As(1)-As(2) bond length is 2.26 Å. In the second As site, As(2) is bonded in a 9-coordinate geometry to four equivalent Na(1), one As(1), and four equivalent As(2) atoms. All As(2)-As(2) bond lengths are 3.05 Å.