data_[Li4Pd6Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1822]
_cell_length_b [4.1182]
_cell_length_c [6.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Pd3Se2]
_chemical_formula_sum '[Li4 Pd6 Se4]'
_cell_volume [235.4809]
_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
[
  Li  Li0  4  0.1185  0.0000  0.7510  1
  Pd  Pd1  4  0.1370  0.5000  0.4407  1
  Pd  Pd2  2  0.0000  0.5000  0.0000  1
  Se  Se3  4  0.1609  0.0000  0.2011  1
]