data_BeInSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeInSe2
_chemical_formula_sum   'Be1 In1 Se2'
_cell_volume   88.06
_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  Be0  1  0.0  0.0  0.97  1.0
  In  In1  1  0.88  0.88  0.16  1.0
  Se  Se2  1  0.0  0.0  0.94  1.0
  Se  Se3  1  0.88  0.88  0.45  1.0

data_BeInSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeInSe2
_chemical_formula_sum   'Be2 In2 Se4'
_cell_volume   176.11
_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  0.97  1.0
  In  In1  2  0.38  0.5  0.16  1.0
  Se  Se2  2  0.0  0.0  0.94  1.0
  Se  Se3  2  0.38  0.5  0.45  1.0

Be In Se Se
Be In Se Se 0 2 o o o 0 1 - - + 1 2 + + - 1 3 o o o 
BeInSe2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeInSe2 clusters. Be(1) is bonded in a distorted single-bond geometry to one In(1) and one Se(1) atom. The Be(1)-In(1) bond length is 1.32 Å. The Be(1)-Se(1) bond length is 0.19 Å. In(1) is bonded in a bent 150 degrees geometry to one Be(1) and one Se(2) atom. The In(1)-Se(2) bond length is 1.80 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a single-bond geometry to one Be(1) atom. In the second Se site, Se(2) is bonded in a single-bond geometry to one In(1) atom.