data_NaBe2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58
_cell_length_b   2.9
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Cu
_chemical_formula_sum   'Na1 Be2 Cu1'
_cell_volume   52.21
_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  0.0  0.0  0.29  1.0
  Be  Be0  1  0.29  0.45  0.61  1.0
  Be  Be1  1  0.0  0.0  0.64  1.0
  Cu  Cu2  1  0.29  0.45  0.93  1.0

data_NaBe2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   2.9
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Cu
_chemical_formula_sum   'Na1 Be2 Cu1'
_cell_volume   52.21
_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  Na0  1  0.0  0.0  0.29  1.0
  Be  Be1  1  0.0  0.0  0.64  1.0
  Be  Be2  1  0.29  0.45  0.61  1.0
  Cu  Cu3  1  0.29  0.45  0.93  1.0

Na Be Be Cu
NaBe2Cu crystallizes in the triclinic P1 space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent Na(1), one Be(2), two equivalent Be(1), and two equivalent Cu(1) atoms. Both Na(1)-Na(1) bond lengths are 2.58 Å. The Na(1)-Be(2) bond length is 2.49 Å. There is one shorter (2.71 Å) and one longer (2.87 Å) Na(1)-Be(1) bond length. There is one shorter (2.90 Å) and one longer (3.05 Å) Na(1)-Cu(1) bond length. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), two equivalent Be(2), and one Cu(1) atom. There is one shorter (1.52 Å) and one longer (1.78 Å) Be(1)-Be(2) bond length. The Be(1)-Cu(1) bond length is 2.24 Å. In the second Be site, Be(2) is bonded in a 3-coordinate geometry to one Na(1), two equivalent Be(1), and two equivalent Cu(1) atoms. There is one shorter (2.51 Å) and one longer (2.67 Å) Be(2)-Cu(1) bond length. Cu(1) is bonded in a 7-coordinate geometry to two equivalent Na(1), one Be(1), two equivalent Be(2), and two equivalent Cu(1) atoms. Both Cu(1)-Cu(1) bond lengths are 2.58 Å.