data_[In2Pd4Se6]
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 [Pc]
_cell_length_a [6.8131]
_cell_length_b [18.7215]
_cell_length_c [8.7647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [InPd2Se3]
_chemical_formula_sum '[In2 Pd4 Se6]'
_cell_volume [1032.9191]
_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  0.8554  0.4777  0.4063  1
  Pd  Pd1  2  0.1534  0.4703  0.8176  1
  Pd  Pd2  2  0.5148  0.4870  0.6249  1
  Se  Se3  2  0.2090  0.4410  0.1177  1
  Se  Se4  2  0.5388  0.4294  0.9008  1
  Se  Se5  2  0.8094  0.4006  0.6326  1
]