data_[Be12Si4Tc4]
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 [C2/m]
_cell_length_a [10.9737]
_cell_length_b [3.1796]
_cell_length_c [7.2151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be3SiTc]
_chemical_formula_sum '[Be12 Si4 Tc4]'
_cell_volume [209.0757]
_cell_formula_units_Z [4]
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  4  0.0715  0.0000  0.4428  1
  Be  Be1  4  0.0971  0.5000  0.7056  1
  Be  Be2  4  0.2384  0.5000  0.5872  1
  Si  Si3  4  0.0833  0.5000  0.2085  1
  Tc  Tc4  4  0.1377  0.0000  0.9950  1
]