data_Na2VCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.64
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   95.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2VCu
_chemical_formula_sum   'Na2 V1 Cu1'
_cell_volume   84.66
_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  0.3  0.0  0.41  1.0
  Na  Na2  1  0.23  0.82  0.24  1.0
  V  V3  1  0.62  0.0  0.43  1.0
  Cu  Cu0  1  0.08  0.82  0.42  1.0

data_Na2VCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.64
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   95.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2VCu
_chemical_formula_sum   'Na2 V1 Cu1'
_cell_volume   84.66
_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  0.23  0.82  0.24  1.0
  Na  Na1  1  0.3  0.0  0.41  1.0
  V  V2  1  0.62  0.0  0.43  1.0
  Cu  Cu3  1  0.08  0.82  0.42  1.0

Na Na V Cu