data_[Ti2In4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7222]
_cell_length_b [6.9471]
_cell_length_c [7.1837]
_cell_angle_alpha [112.4371]
_cell_angle_beta [103.2687]
_cell_angle_gamma [103.0450]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ti(InPd2)2]
_chemical_formula_sum '[Ti2 In4 Pd8]'
_cell_volume [240.8245]
_cell_formula_units_Z [2]
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
[
  Ti  Ti0  1  0.1025  0.0231  0.9717  1.0
  Ti  Ti1  1  0.7156  0.4678  0.1350  1.0
  In  In2  1  0.2774  0.2063  0.6705  1.0
  In  In3  1  0.3201  0.6899  0.5042  1.0
  In  In4  1  0.5579  0.8775  0.1983  1.0
  In  In5  1  0.7915  0.2407  0.6789  1.0
  Pd  Pd6  1  0.0729  0.8601  0.2461  1.0
  Pd  Pd7  1  0.1555  0.6432  0.8074  1.0
  Pd  Pd8  1  0.2040  0.4450  0.0782  1.0
  Pd  Pd9  1  0.4876  0.3064  0.3556  1.0
  Pd  Pd10  1  0.5881  0.0419  0.9021  1.0
  Pd  Pd11  1  0.6783  0.6341  0.8354  1.0
  Pd  Pd12  1  0.8346  0.7961  0.5431  1.0
  Pd  Pd13  1  0.9641  0.2680  0.3235  1.0
]