data_YCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.67
_cell_angle_alpha   105.19
_cell_angle_beta   105.19
_cell_angle_gamma   33.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCu
_chemical_formula_sum   'Y3 Cu3'
_cell_volume   129.82
_cell_formula_units_Z   3
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  0.05  0.0  0.32  1.0
  Y  Y4  1  0.31  0.0  0.45  1.0
  Y  Y5  1  0.81  0.0  0.87  1.0
  Cu  Cu0  1  0.53  0.0  0.54  1.0
  Cu  Cu1  1  0.82  0.0  0.26  1.0
  Cu  Cu2  1  0.47  0.0  0.73  1.0

data_YCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   6.06
_cell_length_c   6.67
_cell_angle_alpha   105.19
_cell_angle_beta   90.0
_cell_angle_gamma   106.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCu
_chemical_formula_sum   'Y3 Cu3'
_cell_volume   129.82
_cell_formula_units_Z   3
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  0.19  0.13  1.0
  Y  Y1  1  0.0  0.69  0.55  1.0
  Y  Y2  1  0.0  0.95  0.68  1.0
  Cu  Cu3  1  0.0  0.18  0.74  1.0
  Cu  Cu4  1  0.0  0.47  0.46  1.0
  Cu  Cu5  1  0.0  0.53  0.27  1.0

Y Y Y Cu Cu Cu
Y Y Y Cu Cu Cu 0 4 - o o 0 1 o o o 1 3 o o o 2 5 o o o 2 3 o o o 3 5 o o o 