data_[La4Be2B2Pt12]
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
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.7696]
_cell_length_b [5.7696]
_cell_length_c [10.4735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [La2BeBPt6]
_chemical_formula_sum '[La4 Be2 B2 Pt12]'
_cell_volume [348.6486]
_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
[
  La  La0  4  0.0000  0.5000  0.2117  1.0
  Be  Be1  2  0.0000  0.0000  0.5677  1.0
  B  B2  2  0.0000  0.0000  0.0698  1.0
  Pt  Pt3  8  0.2461  0.2461  0.9711  1.0
  Pt  Pt4  2  0.0000  0.0000  0.2754  1.0
  Pt  Pt5  2  0.0000  0.0000  0.7788  1.0
]