data_ZrBeIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   136.5
_cell_angle_beta   136.5
_cell_angle_gamma   63.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBeIn2
_chemical_formula_sum   'Zr1 Be1 In2'
_cell_volume   79.61
_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
  Zr  Zr3  1  0.0  0.0  0.72  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.05  0.0  0.36  1.0
  In  In2  1  0.0  0.05  0.36  1.0

data_ZrBeIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   121.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrBeIn2
_chemical_formula_sum   'Zr2 Be2 In4'
_cell_volume   159.21
_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
  Zr  Zr0  2  0.0  0.0  0.72  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  In  In2  4  0.47  0.47  0.31  1.0

Zr Be In In
BeZrIn2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeZrIn2 clusters. Be(1) is bonded in a distorted single-bond geometry to one Zr(1) and two equivalent In(1) atoms. The Be(1)-Zr(1) bond length is 1.55 Å. Both Be(1)-In(1) bond lengths are 1.79 Å. Zr(1) is bonded in a distorted single-bond geometry to one Be(1) atom. In(1) is bonded in a distorted single-bond geometry to one Be(1) and one In(1) atom. The In(1)-In(1) bond length is 0.31 Å.