data_[Hf1Ti2As4Pd4]
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
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.4583]
_cell_length_b [3.8576]
_cell_length_c [7.6534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [HfTi2(AsPd)4]
_chemical_formula_sum '[Hf1 Ti2 As4 Pd4]'
_cell_volume [190.6429]
_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  0.4581  0.0000  0.3127  1
  Ti  Ti1  1  0.5425  0.5000  0.6882  1
  Ti  Ti2  1  0.9600  0.0000  0.1839  1
  As  As3  1  0.2182  0.5000  0.1131  1
  As  As4  1  0.2657  0.0000  0.6301  1
  As  As5  1  0.7507  0.5000  0.3775  1
  As  As6  1  0.7823  0.0000  0.8818  1
  Pd  Pd7  1  0.1524  0.5000  0.4392  1
  Pd  Pd8  1  0.3675  0.0000  0.9402  1
  Pd  Pd9  1  0.6423  0.5000  0.0606  1
  Pd  Pd10  1  0.8583  0.0000  0.5700  1
]