data_[Li1Pr3Be2Pd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Be  1.5700  1.0500  0.5900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.5544]
_cell_length_b [6.5544]
_cell_length_c [7.1833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [LiPr3Be2Pd9]
_chemical_formula_sum '[Li1 Pr3 Be2 Pd9]'
_cell_volume [267.2521]
_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
[
  Li  Li0  1  0.0000  0.0000  0.5000  1
  Pr  Pr1  2  0.3333  0.6667  0.6670  1
  Pr  Pr2  1  0.0000  0.0000  0.0000  1
  Be  Be3  2  0.3333  0.6667  0.1607  1
  Pd  Pd4  6  0.1730  0.3460  0.3298  1
  Pd  Pd5  3  0.0000  0.5000  0.0000  1
]