data_Zr2BeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BeRh
_chemical_formula_sum   'Zr2 Be1 Rh1'
_cell_volume   68.43
_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  0.65  0.65  0.75  1.0
  Zr  Zr3  1  0.65  0.65  0.52  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.14  1.0

data_Zr2BeRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2BeRh
_chemical_formula_sum   'Zr4 Be2 Rh2'
_cell_volume   136.86
_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  0.15  0.5  0.52  1.0
  Zr  Zr1  2  0.15  0.5  0.75  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0
  Rh  Rh3  2  0.0  0.0  0.14  1.0

Zr Zr Be Rh
Zr Zr Be Rh 0 1 o o o 2 3 o o o 
BeZr2Rh crystallizes in the monoclinic Cm space group. Be(1) is bonded in a single-bond geometry to three equivalent Zr(1) and one Rh(1) atom. There is one shorter (2.26 Å) and two longer (2.90 Å) Be(1)-Zr(1) bond lengths. The Be(1)-Rh(1) bond length is 0.85 Å. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to three equivalent Be(1) and one Zr(2) atom. The Zr(1)-Zr(2) bond length is 1.44 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to one Zr(1) and one Rh(1) atom. The Zr(2)-Rh(1) bond length is 2.91 Å. Rh(1) is bonded in a single-bond geometry to one Be(1) and one Zr(2) atom.