data_ZrMnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   142.79
_cell_angle_beta   142.79
_cell_angle_gamma   53.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnCu
_chemical_formula_sum   'Zr1 Mn1 Cu1'
_cell_volume   44.94
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.07  1.0
  Cu  Cu0  1  0.0  0.0  0.71  1.0

data_ZrMnCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   116.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrMnCu
_chemical_formula_sum   'Zr2 Mn2 Cu2'
_cell_volume   89.87
_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  0.0  1.0
  Mn  Mn1  2  0.07  0.0  0.07  1.0
  Cu  Cu2  2  0.21  0.5  0.71  1.0

Zr Mn Cu
ZrMnCu crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrMnCu clusters. Zr(1) is bonded in a linear geometry to one Mn(1) and one Cu(1) atom. The Zr(1)-Mn(1) bond length is 0.31 Å. The Zr(1)-Cu(1) bond length is 1.44 Å. Mn(1) is bonded in a single-bond geometry to one Zr(1) atom. Cu(1) is bonded in a single-bond geometry to one Zr(1) atom.