data_Y3Cu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Cu4
_chemical_formula_sum   'Y3 Cu4'
_cell_volume   158.68
_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  Y4  1  0.18  0.0  0.27  1.0
  Y  Y5  1  0.41  0.75  0.27  1.0
  Y  Y6  1  0.59  0.75  0.27  1.0
  Cu  Cu0  1  0.0  0.0  0.41  1.0
  Cu  Cu1  1  0.0  0.0  0.13  1.0
  Cu  Cu2  1  0.0  0.67  0.0  1.0
  Cu  Cu3  1  0.18  0.83  0.0  1.0

data_Y3Cu4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Cu4
_chemical_formula_sum   'Y3 Cu4'
_cell_volume   158.68
_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  0.27  0.18  0.0  1.0
  Y  Y1  1  0.27  0.41  0.75  1.0
  Y  Y2  1  0.27  0.59  0.75  1.0
  Cu  Cu3  1  -0.0  0.18  0.83  1.0
  Cu  Cu4  1  -0.0  0.0  0.67  1.0
  Cu  Cu5  1  0.13  0.0  0.0  1.0
  Cu  Cu6  1  0.41  0.0  0.0  1.0

Y Y Y Cu Cu Cu Cu
Y Y Y Cu Cu Cu Cu 0 4 o o o 0 3 o o o 1 2 o o o 3 4 o o o 5 6 o o o 