data_[Hf1Zr2P4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.5313]
_cell_length_b [3.8167]
_cell_length_c [7.5083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [HfZr2(PPd)4]
_chemical_formula_sum '[Hf1 Zr2 P4 Pd4]'
_cell_volume [187.1638]
_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
[
  Hf  Hf0  1  0.5353  0.0000  0.6868  1
  Zr  Zr1  1  0.4662  0.5000  0.3189  1
  Zr  Zr2  1  0.9686  0.5000  0.1737  1
  P  P3  1  0.2489  0.0000  0.1295  1
  P  P4  1  0.2569  0.5000  0.6263  1
  P  P5  1  0.7564  0.0000  0.3751  1
  P  P6  1  0.7633  0.5000  0.8757  1
  Pd  Pd7  1  0.1486  0.0000  0.4497  1
  Pd  Pd8  1  0.3549  0.5000  0.9360  1
  Pd  Pd9  1  0.6446  0.0000  0.0575  1
  Pd  Pd10  1  0.8541  0.5000  0.5680  1
]