data_[In2Pd2Se4]
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 [Pm]
_cell_length_a [3.7434]
_cell_length_b [18.3130]
_cell_length_c [10.1944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [InPdSe2]
_chemical_formula_sum '[In2 Pd2 Se4]'
_cell_volume [688.6574]
_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  1  0.0422  0.5000  0.5178  1
  In  In1  1  0.3326  0.5000  0.0141  1
  Pd  Pd2  1  0.4163  0.5000  0.2796  1
  Pd  Pd3  1  0.6326  0.5000  0.7175  1
  Se  Se4  2  0.7790  0.4114  0.8952  1
  Se  Se5  2  0.9211  0.4095  0.2962  1
]