data_[Be48H3W6]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2959]
_cell_length_b [7.2959]
_cell_length_c [10.5401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Be16HW2]
_chemical_formula_sum '[Be48 H3 W6]'
_cell_volume [485.8842]
_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
[
  Be  Be0  18  0.0274  0.3596  0.6639  1
  Be  Be1  9  0.0043  0.5021  0.4962  1
  Be  Be2  9  0.0095  0.5048  0.1509  1
  Be  Be3  9  0.1701  0.3401  0.1743  1
  Be  Be4  3  0.0000  0.0000  0.0972  1
  H  H5  3  0.0000  0.0000  0.9608  1
  W  W6  3  0.0000  0.0000  0.3392  1
  W  W7  3  0.0000  0.0000  0.6551  1
]