data_YbPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbPd3
_chemical_formula_sum   'Yb2 Pd6'
_cell_volume   133.13
_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
  Yb  Yb6  1  0.0  0.33  0.16  1.0
  Yb  Yb7  1  0.88  0.66  0.47  1.0
  Pd  Pd0  1  0.0  0.64  0.47  1.0
  Pd  Pd1  1  0.46  0.17  0.47  1.0
  Pd  Pd2  1  0.54  0.17  0.47  1.0
  Pd  Pd3  1  0.88  0.35  0.16  1.0
  Pd  Pd4  1  0.42  0.82  0.16  1.0
  Pd  Pd5  1  0.34  0.82  0.16  1.0

data_YbPd3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.63
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YbPd3
_chemical_formula_sum   'Yb2 Pd6'
_cell_volume   133.13
_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
  Yb  Yb0  2  0.16  0.44  0.17  1.0
  Pd  Pd1  2  0.16  0.02  0.67  1.0
  Pd  Pd2  2  0.16  0.1  0.67  1.0
  Pd  Pd3  2  0.16  0.56  0.14  1.0

Yb Yb Pd Pd Pd Pd Pd Pd
Yb Yb Pd Pd Pd Pd Pd Pd 0 5 - o o 1 2 + o o 3 4 o o o 6 7 o o o 