data_[Be12H4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.2384]
_cell_length_b [9.7976]
_cell_length_c [4.2971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Be3HPt]
_chemical_formula_sum '[Be12 H4 Pt4]'
_cell_volume [178.4452]
_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
[
  Be  Be0  8  0.0053  0.6168  0.9815  1
  Be  Be1  4  0.0348  0.7500  0.5056  1
  H  H2  4  0.0856  0.2500  0.8888  1
  Pt  Pt3  4  0.0000  0.0000  0.5000  1
]