data_[Hf2Ti1P4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.3682]
_cell_length_b [3.7660]
_cell_length_c [7.4768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Hf2Ti(PPd)4]
_chemical_formula_sum '[Hf2 Ti1 P4 Pd4]'
_cell_volume [179.2783]
_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  0.4646  0.0000  0.3154  1
  Hf  Hf1  1  0.5413  0.5000  0.6867  1
  Ti  Ti2  1  0.9648  0.0000  0.1775  1
  P  P3  1  0.2296  0.5000  0.1242  1
  P  P4  1  0.2587  0.0000  0.6244  1
  P  P5  1  0.7577  0.5000  0.3714  1
  P  P6  1  0.7784  0.0000  0.8851  1
  Pd  Pd7  1  0.1475  0.5000  0.4405  1
  Pd  Pd8  1  0.3496  0.0000  0.9389  1
  Pd  Pd9  1  0.6466  0.5000  0.0595  1
  Pd  Pd10  1  0.8592  0.0000  0.5736  1
]