data_NaNb2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   156.08
_cell_angle_beta   132.49
_cell_angle_gamma   53.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Cu
_chemical_formula_sum   'Na1 Nb2 Cu1'
_cell_volume   74.8
_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  Na1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.31  0.0  0.24  1.0
  Nb  Nb3  1  0.0  0.54  0.38  1.0
  Cu  Cu0  1  0.0  0.0  0.63  1.0

data_NaNb2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   5.08
_cell_length_c   6.31
_cell_angle_alpha   113.76
_cell_angle_beta   101.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Cu
_chemical_formula_sum   'Na1 Nb2 Cu1'
_cell_volume   74.8
_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
  Nb  Nb1  1  0.06  0.76  0.06  1.0
  Nb  Nb2  1  0.62  0.16  0.16  1.0
  Cu  Cu3  1  0.37  0.37  0.37  1.0

Na Nb Nb Cu