data_[Ce6Be3Si9Pt36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9405]
_cell_length_b [6.9405]
_cell_length_c [23.1079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2Be(SiPt4)3]
_chemical_formula_sum '[Ce6 Be3 Si9 Pt36]'
_cell_volume [963.9812]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  6  0.0000  0.0000  0.3441  1
  Be  Be1  3  0.0000  0.0000  0.0000  1
  Si  Si2  9  0.0000  0.5000  0.5000  1
  Pt  Pt3  18  0.0506  0.5253  0.6084  1
  Pt  Pt4  18  0.0527  0.5264  0.1202  1
]