data_[Zr4Be20Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4836]
_cell_length_b [4.3511]
_cell_length_c [9.3368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ZrBe5Pt]
_chemical_formula_sum '[Zr4 Be20 Pt4]'
_cell_volume [304.0213]
_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
[
  Zr  Zr0  4  0.2358  0.2500  0.0640  1
  Be  Be1  8  0.0576  0.0046  0.3127  1
  Be  Be2  4  0.0347  0.7500  0.1106  1
  Be  Be3  4  0.0763  0.2500  0.5150  1
  Be  Be4  4  0.2008  0.2500  0.7467  1
  Pt  Pt5  4  0.1456  0.7500  0.8631  1
]