data_[Ho6P6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8389]
_cell_length_b [4.0031]
_cell_length_c [11.7051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoPPd]
_chemical_formula_sum '[Ho6 P6 Pd6]'
_cell_volume [320.4354]
_cell_formula_units_Z [6]
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
[
  Ho  Ho0  2  0.0353  0.7500  0.7082  1
  Ho  Ho1  2  0.3358  0.2500  0.0785  1
  Ho  Ho2  2  0.4678  0.2500  0.3773  1
  P  P3  2  0.2481  0.2500  0.5822  1
  P  P4  2  0.2504  0.7500  0.9138  1
  P  P5  2  0.2587  0.7500  0.2499  1
  Pd  Pd6  2  0.0039  0.7500  0.0919  1
  Pd  Pd7  2  0.1473  0.7500  0.4582  1
  Pd  Pd8  2  0.3741  0.2500  0.7940  1
]