data_NaY2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   6.21
_cell_angle_alpha   102.08
_cell_angle_beta   102.08
_cell_angle_gamma   39.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Cu
_chemical_formula_sum   'Na1 Y2 Cu1'
_cell_volume   107.34
_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
  Y  Y2  1  0.27  0.0  0.31  1.0
  Y  Y3  1  0.32  0.0  0.74  1.0
  Cu  Cu0  1  0.3  0.0  0.03  1.0

data_NaY2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.29
_cell_length_c   6.21
_cell_angle_alpha   102.08
_cell_angle_beta   90.0
_cell_angle_gamma   109.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Cu
_chemical_formula_sum   'Na1 Y2 Cu1'
_cell_volume   107.34
_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
  Y  Y1  1  0.0  0.68  0.26  1.0
  Y  Y2  1  0.0  0.73  0.69  1.0
  Cu  Cu3  1  0.0  0.7  0.97  1.0

Na Y Y Cu
Na Y Y Cu 0 3 o o o 0 1 o o o 1 3 o o o 2 3 o o + 