data_[In2Te4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.4980]
_cell_length_b [13.2493]
_cell_length_c [4.7530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In(TePd4)2]
_chemical_formula_sum '[In2 Te4 Pd16]'
_cell_volume [389.1062]
_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
[
  In  In0  2  0.0911  0.0000  0.2078  1
  Te  Te1  4  0.0493  0.3399  0.1494  1
  Pd  Pd2  4  0.1165  0.1195  0.7251  1
  Pd  Pd3  4  0.3202  0.3321  0.9361  1
  Pd  Pd4  4  0.3402  0.8051  0.4439  1
  Pd  Pd5  2  0.0016  0.5000  0.7703  1
  Pd  Pd6  2  0.2555  0.5000  0.5145  1
]