data_[Al1Pd1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9982]
_cell_length_b [3.8053]
_cell_length_c [18.3461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AlPdSe3]
_chemical_formula_sum '[Al1 Pd1 Se3]'
_cell_volume [418.7441]
_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
[
  Al  Al0  1  0.9401  0.5000  0.5048  1
  Pd  Pd1  1  0.5968  0.0000  0.5056  1
  Se  Se2  1  0.1704  0.0000  0.4779  1
  Se  Se3  1  0.6383  0.5000  0.4146  1
  Se  Se4  1  0.6544  0.5000  0.5970  1
]