data_[Hf3Be27Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Be  1.5700  1.0500  0.5900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4475]
_cell_length_b [4.4475]
_cell_length_c [21.2999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [HfBe9Pt2]
_chemical_formula_sum '[Hf3 Be27 Pt6]'
_cell_volume [364.8782]
_cell_formula_units_Z [3]
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
[
  Hf  Hf0  3  0.0000  0.0000  0.0000  1.0
  Be  Be1  18  0.0004  0.5002  0.9157  1.0
  Be  Be2  6  0.0000  0.0000  0.3321  1.0
  Be  Be3  3  -0.0000  -0.0000  0.5000  1.0
  Pt  Pt4  6  0.0000  0.0000  0.1346  1.0
]