data_NaV2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   2.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   125.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Cu
_chemical_formula_sum   'Na1 V2 Cu1'
_cell_volume   59.54
_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
  V  V2  1  0.25  0.43  0.22  1.0
  V  V3  1  0.25  0.57  0.22  1.0
  Cu  Cu0  1  0.51  0.0  0.0  1.0

data_NaV2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.44
_cell_length_b   5.02
_cell_length_c   5.47
_cell_angle_alpha   117.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Cu
_chemical_formula_sum   'Na1 V2 Cu1'
_cell_volume   59.54
_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
  V  V1  1  0.22  0.43  0.69  1.0
  V  V2  1  0.22  0.57  0.82  1.0
  Cu  Cu3  1  0.0  0.0  0.51  1.0

Na V V Cu