data_[Ta8Al4In4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [10.6215]
_cell_length_b [4.3320]
_cell_length_c [10.6363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2AlInPd2]
_chemical_formula_sum '[Ta8 Al4 In4 Pd8]'
_cell_volume [461.4032]
_cell_formula_units_Z [4]
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
[
  Ta  Ta0  1  0.0019  0.0000  0.2504  1
  Ta  Ta1  1  0.1268  0.5000  0.6209  1
  Ta  Ta2  1  0.2506  0.0000  0.0050  1
  Ta  Ta3  1  0.3726  0.5000  0.3727  1
  Ta  Ta4  1  0.5021  0.0000  0.7502  1
  Ta  Ta5  1  0.6227  0.5000  0.1247  1
  Ta  Ta6  1  0.7459  0.0000  0.4959  1
  Ta  Ta7  1  0.8778  0.5000  0.8814  1
  Al  Al8  1  0.1253  0.5000  0.1260  1
  Al  Al9  1  0.2501  0.0000  0.4980  1
  Al  Al10  1  0.4986  0.0000  0.2491  1
  Al  Al11  1  0.7509  0.0000  0.0012  1
  In  In12  1  0.0018  0.0000  0.7530  1
  In  In13  1  0.3751  0.5000  0.8765  1
  In  In14  1  0.6235  0.5000  0.6256  1
  In  In15  1  0.8752  0.5000  0.3726  1
  Pd  Pd16  1  0.0020  0.0000  0.0095  1
  Pd  Pd17  1  0.1308  0.5000  0.3735  1
  Pd  Pd18  1  0.2516  0.0000  0.7415  1
  Pd  Pd19  1  0.3733  0.5000  0.1309  1
  Pd  Pd20  1  0.4924  0.0000  0.4924  1
  Pd  Pd21  1  0.6329  0.5000  0.8827  1
  Pd  Pd22  1  0.7420  0.0000  0.2423  1
  Pd  Pd23  1  0.8741  0.5000  0.6240  1
]