data_[In2Pd8Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6267]
_cell_length_b [5.6983]
_cell_length_c [7.7011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InPd4Se]
_chemical_formula_sum '[In2 Pd8 Se2]'
_cell_volume [203.0029]
_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  0.2516  0.7500  0.5761  1.0
  Pd  Pd1  4  0.2440  0.0067  0.2634  1.0
  Pd  Pd2  2  0.2536  0.2500  0.6156  1.0
  Pd  Pd3  2  0.2595  0.7500  0.9235  1.0
  Se  Se4  2  0.2366  0.2500  0.9456  1.0
]