data_[Be20Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.4847]
_cell_length_b [13.0180]
_cell_length_c [6.5702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Be5Pt3]
_chemical_formula_sum '[Be20 Pt12]'
_cell_volume [361.0606]
_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  4  0.0454  0.3556  0.6263  1
  Be  Be1  4  0.3374  0.4167  0.2160  1
  Be  Be2  4  0.3488  0.1281  0.8966  1
  Be  Be3  4  0.4025  0.1857  0.2680  1
  Be  Be4  2  0.2235  0.0000  0.5100  1
  Be  Be5  2  0.2252  0.5000  0.4899  1
  Pt  Pt6  4  0.4182  0.3089  0.9717  1
  Pt  Pt7  4  0.4884  0.3236  0.5275  1
  Pt  Pt8  2  0.1601  0.5000  0.8388  1
  Pt  Pt9  2  0.3099  0.0000  0.1557  1
]