data_NaY2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   3.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Cu
_chemical_formula_sum   'Na1 Y2 Cu1'
_cell_volume   100.2
_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  0.81  0.83  0.89  1.0
  Y  Y3  1  0.81  0.17  0.89  1.0
  Cu  Cu0  1  0.61  0.0  0.0  1.0

data_NaY2Cu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.78
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaY2Cu
_chemical_formula_sum   'Na1 Y2 Cu1'
_cell_volume   100.21
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.89  0.17  0.81  1.0
  Cu  Cu2  1  0.0  0.0  0.61  1.0

Na Y Y Cu