data_NaBeCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeCu2
_chemical_formula_sum   'Na1 Be1 Cu2'
_cell_volume   58.93
_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
  Na  Na3  1  0.46  0.46  0.5  1.0
  Be  Be0  1  0.0  0.0  0.85  1.0
  Cu  Cu1  1  0.46  0.46  0.69  1.0
  Cu  Cu2  1  0.0  0.0  0.26  1.0

data_NaBeCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaBeCu2
_chemical_formula_sum   'Na2 Be2 Cu4'
_cell_volume   117.87
_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
  Na  Na0  2  0.46  0.0  0.5  1.0
  Be  Be1  2  0.0  0.0  0.85  1.0
  Cu  Cu2  2  0.0  0.0  0.26  1.0
  Cu  Cu3  2  0.46  0.0  0.69  1.0

Na Be Cu Cu
Na Be Cu Cu 0 2 o o o 0 3 + + o 0 3 + o o 0 3 o + o 0 3 o o o 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 3 o o + 3 3 + o o 3 3 o + o 
NaBeCu2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a distorted single-bond geometry to one Cu(1) and four equivalent Cu(2) atoms. The Na(1)-Cu(1) bond length is 1.34 Å. There are a spread of Na(1)-Cu(2) bond distances ranging from 2.52-2.78 Å. Be(1) is bonded in a 5-coordinate geometry to one Cu(2) and four equivalent Cu(1) atoms. The Be(1)-Cu(2) bond length is 2.86 Å. There are a spread of Be(1)-Cu(1) bond distances ranging from 2.17-2.47 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Na(1) and four equivalent Be(1) atoms. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one Be(1) atom.