data_[Ti6Be48Tc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.5637]
_cell_length_b [7.5637]
_cell_length_c [10.7594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ti2Be16Tc]
_chemical_formula_sum '[Ti6 Be48 Tc3]'
_cell_volume [533.0705]
_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
[
  Ti  Ti0  3  0.0000  0.0000  0.3291  1
  Ti  Ti1  3  0.0000  0.0000  0.6542  1
  Be  Be2  18  0.0001  0.2982  0.0027  1
  Be  Be3  9  0.0012  0.5006  0.5012  1
  Be  Be4  9  0.0060  0.5030  0.1588  1
  Be  Be5  9  0.1697  0.3395  0.1813  1
  Be  Be6  3  0.0000  0.0000  0.8840  1
  Tc  Tc7  3  0.0000  0.0000  0.0921  1
]