data_[Be51Si3Tc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2206]
_cell_length_b [7.2206]
_cell_length_c [10.9471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Be17SiTc]
_chemical_formula_sum '[Be51 Si3 Tc3]'
_cell_volume [494.2891]
_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  0.0037  0.3110  0.9960  1
  Be  Be1  9  0.0054  0.5027  0.4918  1
  Be  Be2  9  0.1687  0.3373  0.1727  1
  Be  Be3  9  0.1687  0.3374  0.4905  1
  Be  Be4  3  0.0000  0.0000  0.0944  1
  Be  Be5  3  0.0000  0.0000  0.8968  1
  Si  Si6  3  0.0000  0.0000  0.4067  1
  Tc  Tc7  3  0.0000  0.0000  0.6612  1
]