data_Na2YCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   151.53
_cell_angle_beta   137.81
_cell_angle_gamma   51.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YCu
_chemical_formula_sum   'Na2 Y1 Cu1'
_cell_volume   104.6
_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  0.7  0.0  0.53  1.0
  Na  Na2  1  0.0  0.48  0.67  1.0
  Y  Y3  1  0.0  0.0  0.21  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Na2YCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.97
_cell_length_c   6.9
_cell_angle_alpha   111.09
_cell_angle_beta   104.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YCu
_chemical_formula_sum   'Na2 Y1 Cu1'
_cell_volume   104.6
_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  0.16  0.47  0.16  1.0
  Na  Na1  1  0.33  0.81  0.81  1.0
  Y  Y2  1  0.79  0.79  0.79  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Na Na Y Cu