data_[Li3Be51Tc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2726]
_cell_length_b [7.2726]
_cell_length_c [10.7295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiBe17Tc]
_chemical_formula_sum '[Li3 Be51 Tc3]'
_cell_volume [491.4605]
_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
[
  Li  Li0  3  0.0000  0.0000  0.6545  1
  Be  Be1  18  0.0012  0.3023  1.0000  1
  Be  Be2  9  0.0012  0.5006  0.8444  1
  Be  Be3  9  0.0101  0.5050  0.1558  1
  Be  Be4  9  0.1701  0.3401  0.8375  1
  Be  Be5  3  0.0000  0.0000  0.1014  1
  Be  Be6  3  0.0000  0.0000  0.9024  1
  Tc  Tc7  3  0.0000  0.0000  0.3286  1
]