data_YNb2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   3.05
_cell_angle_alpha   101.38
_cell_angle_beta   101.38
_cell_angle_gamma   124.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Cu
_chemical_formula_sum   'Y1 Nb2 Cu1'
_cell_volume   77.94
_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  Y3  1  0.73  0.0  0.0  1.0
  Nb  Nb1  1  0.72  0.58  0.38  1.0
  Nb  Nb2  1  0.72  0.42  0.38  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_YNb2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.0
_cell_length_c   5.84
_cell_angle_alpha   112.9
_cell_angle_beta   101.38
_cell_angle_gamma   98.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Cu
_chemical_formula_sum   'Y1 Nb2 Cu1'
_cell_volume   77.94
_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  0.0  0.73  1.0
  Nb  Nb1  1  0.8  0.42  0.14  1.0
  Nb  Nb2  1  0.96  0.58  0.3  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

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