data_[La4Be4Pt8]
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/m]
_cell_length_a [5.7932]
_cell_length_b [5.7531]
_cell_length_c [9.2124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaBePt2]
_chemical_formula_sum '[La4 Be4 Pt8]'
_cell_volume [304.6600]
_cell_formula_units_Z [4]
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  0.1803  0.5000  0.2092  1
  Be  Be1  4  0.2270  0.0000  0.3776  1
  Pt  Pt2  4  0.0000  0.2492  0.5000  1
  Pt  Pt3  4  0.1576  0.0000  0.1249  1
]