data_[Be48Tc6H3]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2562]
_cell_length_b [7.2562]
_cell_length_c [10.4990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Be16Tc2H]
_chemical_formula_sum '[Be48 Tc6 H3]'
_cell_volume [478.7442]
_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  0.0208  0.3540  0.6719  1
  Be  Be1  9  0.0015  0.5007  0.5037  1
  Be  Be2  9  0.0154  0.5077  0.1591  1
  Be  Be3  9  0.1689  0.8311  0.1818  1
  Be  Be4  3  0.0000  0.0000  0.0900  1
  Tc  Tc5  3  0.0000  0.0000  0.3374  1
  Tc  Tc6  3  0.0000  0.0000  0.6735  1
  H  H7  3  0.0000  0.0000  0.8340  1
]