data_[La1Pd1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1194]
_cell_length_b [5.2127]
_cell_length_c [18.8628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [106.1476]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaPdSe3]
_chemical_formula_sum '[La1 Pd1 Se3]'
_cell_volume [483.5068]
_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
[
  La  La0  1  0.3260  0.4120  0.5400  1
  Pd  Pd1  1  0.9840  0.8757  0.4865  1
  Se  Se2  1  0.2867  0.1493  0.3946  1
  Se  Se3  1  0.5391  0.9623  0.4795  1
  Se  Se4  1  0.8800  0.6124  0.5994  1
]