data_Y5Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Pd
_chemical_formula_sum   'Y5 Pd1'
_cell_volume   196.13
_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  Y1  1  0.55  0.69  0.94  1.0
  Y  Y2  1  0.1  0.79  0.0  1.0
  Y  Y3  1  0.45  0.69  0.94  1.0
  Y  Y4  1  0.1  0.0  0.94  1.0
  Y  Y5  1  0.0  0.58  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Y5Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.89
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Pd
_chemical_formula_sum   'Y5 Pd1'
_cell_volume   196.13
_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  0.0  0.58  1.0
  Y  Y1  1  0.0  0.1  0.79  1.0
  Y  Y2  1  0.94  0.1  0.0  1.0
  Y  Y3  1  0.94  0.45  0.69  1.0
  Y  Y4  1  0.94  0.55  0.69  1.0
  Pd  Pd5  1  0.0  0.0  0.0  1.0

Y Y Y Y Y Pd
Y Y Y Y Y Pd 0 2 o o o 1 3 o + - 1 4 o o o 3 5 o o + 