data_[In1Pd5Se1]
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 [P4/mmm]
_cell_length_a [4.1029]
_cell_length_b [4.1029]
_cell_length_c [7.0990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [InPd5Se]
_chemical_formula_sum '[In1 Pd5 Se1]'
_cell_volume [119.5060]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.0000  1.0
  Pd  Pd1  4  0.0000  0.5000  0.2810  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  Se  Se3  1  0.0000  0.0000  0.5000  1.0
]