data_BeIn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2As
_chemical_formula_sum   'Be1 In2 As1'
_cell_volume   80.42
_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
  Be  Be1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.57  0.57  0.77  1.0
  In  In3  1  0.57  0.57  0.35  1.0
  As  As0  1  0.0  0.0  0.06  1.0

data_BeIn2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeIn2As
_chemical_formula_sum   'Be2 In4 As2'
_cell_volume   160.84
_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
  Be  Be0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.07  0.5  0.35  1.0
  In  In2  2  0.07  0.5  0.77  1.0
  As  As3  2  0.0  0.0  0.06  1.0

Be In In As
Be In In As 0 3 o o o 0 1 o o - 0 1 o - - 0 1 - o - 0 1 - - - 0 2 o - o 0 2 - o o 0 2 - - o 1 3 o o + 1 3 o + + 1 3 + o + 1 3 + + + 1 1 + o o 1 1 o + o 1 2 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 
BeIn2As crystallizes in the monoclinic Cm space group. Be(1) is bonded in a single-bond geometry to three equivalent In(1) and one As(1) atom. There is one shorter (2.68 Å) and two longer (2.94 Å) Be(1)-In(1) bond lengths. The Be(1)-As(1) bond length is 0.50 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to three equivalent Be(1) and one In(2) atom. The In(1)-In(2) bond length is 3.35 Å. In the second In site, In(2) is bonded in a 8-coordinate geometry to one In(1), four equivalent In(2), and three equivalent As(1) atoms. All In(2)-In(2) bond lengths are 3.15 Å. There is one shorter (3.05 Å) and two longer (3.28 Å) In(2)-As(1) bond lengths. As(1) is bonded in a single-bond geometry to one Be(1) and three equivalent In(2) atoms.