data_NaNb2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   132.86
_cell_angle_beta   132.86
_cell_angle_gamma   68.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Cu
_chemical_formula_sum   'Na1 Nb2 Cu1'
_cell_volume   69.11
_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  0.03  0.0  0.09  1.0
  Nb  Nb3  1  0.0  0.0  0.19  1.0
  Cu  Cu0  1  0.0  0.03  0.09  1.0

data_NaNb2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.08
_cell_angle_alpha   113.57
_cell_angle_beta   113.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Cu
_chemical_formula_sum   'Na1 Nb2 Cu1'
_cell_volume   69.11
_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  0.81  0.0  0.81  1.0
  Nb  Nb2  1  0.91  0.0  0.94  1.0
  Cu  Cu3  1  0.94  0.03  0.94  1.0

Na Nb Nb Cu