data_[La8Be8Pt24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0674]
_cell_length_b [10.9334]
_cell_length_c [7.1301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaBePt3]
_chemical_formula_sum '[La8 Be8 Pt24]'
_cell_volume [740.9171]
_cell_formula_units_Z [8]
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  8  0.1620  0.3779  0.6508  1
  Be  Be1  4  0.0000  0.0065  0.7500  1
  Be  Be2  4  0.0000  0.1920  0.2500  1
  Pt  Pt3  8  0.1160  0.0923  0.5395  1
  Pt  Pt4  8  0.1234  0.3513  0.1922  1
  Pt  Pt5  8  0.1397  0.1683  0.9265  1
]