data_[Be51Tc3W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tc  1.9000  1.3500  0.7417
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2634]
_cell_length_b [7.2634]
_cell_length_c [10.5590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Be17TcW]
_chemical_formula_sum '[Be51 Tc3 W3]'
_cell_volume [482.4236]
_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  0.0027  0.3036  0.9997  1
  Be  Be1  9  0.0048  0.5024  0.4983  1
  Be  Be2  9  0.0121  0.5060  0.1540  1
  Be  Be3  9  0.1683  0.3366  0.1814  1
  Be  Be4  3  0.0000  0.0000  0.1021  1
  Be  Be5  3  0.0000  0.0000  0.9004  1
  Tc  Tc6  3  0.0000  0.0000  0.3368  1
  W  W7  3  0.0000  0.0000  0.6613  1
]