data_Zr2BeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BeCl
_chemical_formula_sum   'Zr2 Be1 Cl1'
_cell_volume   69.39
_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  Zr2  1  0.39  0.0  0.52  1.0
  Zr  Zr3  1  0.0  0.39  0.52  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.39  0.39  0.0  1.0

data_Zr2BeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2BeCl
_chemical_formula_sum   'Zr4 Be2 Cl2'
_cell_volume   138.79
_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  4  0.19  0.19  0.52  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.39  0.0  0.0  1.0

Zr Zr Be Cl
Zr Zr Be Cl 0 2 o o o 0 2 o o + 0 1 o o o 0 3 o o o 0 3 o o + 1 2 o o o 1 2 o o + 1 3 o o o 1 3 o o + 2 3 o o o 
BeZr2Cl crystallizes in the monoclinic Cm space group. Be(1) is bonded in a 9-coordinate geometry to eight equivalent Zr(1) and one Cl(1) atom. There are a spread of Be(1)-Zr(1) bond distances ranging from 2.37-3.32 Å. The Be(1)-Cl(1) bond length is 2.63 Å. Zr(1) is bonded in a 2-coordinate geometry to four equivalent Be(1) and two equivalent Cl(1) atoms. There is one shorter (2.37 Å) and one longer (2.44 Å) Zr(1)-Cl(1) bond length. Cl(1) is bonded in a 4-coordinate geometry to one Be(1) and four equivalent Zr(1) atoms.