data_YCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCu3
_chemical_formula_sum   'Y2 Cu6'
_cell_volume   134.3
_cell_formula_units_Z   2
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  Y6  1  0.11  0.48  0.09  1.0
  Y  Y7  1  0.11  0.52  0.26  1.0
  Cu  Cu0  1  0.11  0.48  0.09  1.0
  Cu  Cu1  1  0.11  0.52  0.26  1.0
  Cu  Cu2  1  0.23  0.73  0.09  1.0
  Cu  Cu3  1  1.0  0.27  0.26  1.0
  Cu  Cu4  1  0.23  0.27  0.26  1.0
  Cu  Cu5  1  1.0  0.73  0.09  1.0

data_YCu3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.34
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   115.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YCu3
_chemical_formula_sum   'Y2 Cu6'
_cell_volume   134.3
_cell_formula_units_Z   2
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
  Y  Y0  2  0.09  0.0  0.52  1.0
  Cu  Cu1  2  0.09  0.0  0.52  1.0
  Cu  Cu2  2  0.09  0.12  0.27  1.0
  Cu  Cu3  2  0.09  0.88  0.27  1.0
