data_[Be4Os4Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Os  2.2000  1.3000  0.6730
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.7499]
_cell_length_b [3.7499]
_cell_length_c [17.3084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [BeOsPt2]
_chemical_formula_sum '[Be4 Os4 Pt8]'
_cell_volume [243.3856]
_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  0.0000  0.0000  0.5000  1
  Os  Os1  4  0.0000  0.0000  0.0000  1
  Pt  Pt2  8  0.2428  0.2500  0.6250  1
]