data_CaBeIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBeIn2
_chemical_formula_sum   'Ca1 Be1 In2'
_cell_volume   90.37
_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
  Ca  Ca1  1  0.24  0.24  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  In  In2  1  0.24  0.0  0.25  1.0
  In  In3  1  0.0  0.24  0.25  1.0

data_CaBeIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaBeIn2
_chemical_formula_sum   'Ca2 Be2 In4'
_cell_volume   180.73
_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
  Ca  Ca0  2  0.24  0.0  0.0  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  In  In2  4  0.12  0.12  0.25  1.0

Ca Be In In
Ca Be In In 0 1 o o o 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
CaBeIn2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaBeIn2 clusters. Ca(1) is bonded in a 3-coordinate geometry to one Be(1) and two equivalent In(1) atoms. The Ca(1)-Be(1) bond length is 1.52 Å. Both Ca(1)-In(1) bond lengths are 1.56 Å. Be(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent In(1) atoms. Both Be(1)-In(1) bond lengths are 1.56 Å. In(1) is bonded in a 3-coordinate geometry to one Ca(1), one Be(1), and one In(1) atom. The In(1)-In(1) bond length is 1.52 Å.