data_[Hf2Ti1Ni1As4Pd3]
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
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.5563]
_cell_length_b [3.8453]
_cell_length_c [7.6039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Hf2TiNiAs4Pd3]
_chemical_formula_sum '[Hf2 Ti1 Ni1 As4 Pd3]'
_cell_volume [191.6974]
_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  0.4603  0.5000  0.3141  1
  Hf  Hf1  1  0.9621  0.5000  0.1821  1
  Ti  Ti2  1  0.5376  0.0000  0.6886  1
  Ni  Ni3  1  0.6378  0.0000  0.0601  1
  As  As4  1  0.2429  0.0000  0.1151  1
  As  As5  1  0.2622  0.5000  0.6330  1
  As  As6  1  0.7443  0.0000  0.3688  1
  As  As7  1  0.7650  0.5000  0.8828  1
  Pd  Pd8  1  0.1517  0.0000  0.4435  1
  Pd  Pd9  1  0.3803  0.5000  0.9406  1
  Pd  Pd10  1  0.8539  0.5000  0.5685  1
]