data_NaCuMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55
_cell_length_b   4.92
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   100.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuMo2
_chemical_formula_sum   'Na1 Cu1 Mo2'
_cell_volume   65.03
_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  0.0  1.0
  Cu  Cu0  1  0.82  0.0  0.59  1.0
  Mo  Mo1  1  0.86  0.46  0.8  1.0
  Mo  Mo2  1  0.78  0.46  0.38  1.0

data_NaCuMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.92
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   100.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuMo2
_chemical_formula_sum   'Na1 Cu1 Mo2'
_cell_volume   65.03
_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  0.0  1.0
  Cu  Cu1  1  0.82  0.0  0.59  1.0
  Mo  Mo2  1  0.78  0.46  0.38  1.0
  Mo  Mo3  1  0.86  0.46  0.8  1.0

Na Cu Mo Mo
Na Cu Mo Mo 0 2 - o - 0 2 - - - 0 1 - o - 0 0 + o o 1 3 o o o 1 1 + o o 1 2 o o o 2 3 o o o 2 2 + o o 3 3 + o o 
NaMo2Cu crystallizes in the triclinic P1 space group. Na(1) is bonded in a 2-coordinate geometry to two equivalent Mo(1), four equivalent Mo(2), and one Cu(1) atom. There is one shorter (2.49 Å) and one longer (2.86 Å) Na(1)-Mo(1) bond length. There are a spread of Na(1)-Mo(2) bond distances ranging from 3.15-3.70 Å. The Na(1)-Cu(1) bond length is 2.12 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Mo(1), two equivalent Mo(2), and two equivalent Cu(1) atoms. Both Mo(1)-Mo(1) bond lengths are 2.55 Å. There is one shorter (2.16 Å) and one longer (3.12 Å) Mo(1)-Mo(2) bond length. There is one shorter (2.50 Å) and one longer (2.87 Å) Mo(1)-Cu(1) bond length. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to four equivalent Na(1), two equivalent Mo(1), two equivalent Mo(2), and two equivalent Cu(1) atoms. Both Mo(2)-Mo(2) bond lengths are 2.55 Å. There is one shorter (2.50 Å) and one longer (2.87 Å) Mo(2)-Cu(1) bond length. Cu(1) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Mo(1), and two equivalent Mo(2) atoms.