data_[Be2Al12Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3381]
_cell_length_b [3.5225]
_cell_length_c [6.2674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be(Al3Tc)2]
_chemical_formula_sum '[Be2 Al12 Tc4]'
_cell_volume [254.9059]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1
  Al  Al1  4  0.1013  0.5000  0.1501  1
  Al  Al2  4  0.1667  0.0000  0.4969  1
  Al  Al3  4  0.2216  0.5000  0.8353  1
  Tc  Tc4  4  0.0532  0.0000  0.7926  1
]