data_[La2Be2Pt6]
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 [P6/mmm]
_cell_length_a [5.4524]
_cell_length_b [5.4524]
_cell_length_c [6.9885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [LaBePt3]
_chemical_formula_sum '[La2 Be2 Pt6]'
_cell_volume [179.9264]
_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  1  0.0000  0.0000  0.0000  1.0
  La  La1  1  0.0000  0.0000  0.5000  1.0
  Be  Be2  2  0.3333  0.6667  0.0000  1.0
  Pt  Pt3  6  0.0000  0.5000  0.2544  1.0
]