data_Y2NbCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.64
_cell_angle_alpha   105.41
_cell_angle_beta   105.41
_cell_angle_gamma   35.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NbCu
_chemical_formula_sum   'Y2 Nb1 Cu1'
_cell_volume   90.13
_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
  Y  Y2  1  0.51  0.0  0.11  1.0
  Y  Y3  1  0.08  0.0  0.31  1.0
  Nb  Nb1  1  0.29  0.0  0.71  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Y2NbCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.34
_cell_length_c   5.64
_cell_angle_alpha   105.41
_cell_angle_beta   90.0
_cell_angle_gamma   107.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NbCu
_chemical_formula_sum   'Y2 Nb1 Cu1'
_cell_volume   90.13
_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
  Y  Y0  1  0.0  0.49  0.89  1.0
  Y  Y1  1  0.0  0.92  0.69  1.0
  Nb  Nb2  1  0.0  0.71  0.29  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Y Y Nb Cu