data_[Ac4Tc4B16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tc  1.9000  1.3500  0.7417
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.2654]
_cell_length_b [12.1642]
_cell_length_c [3.7986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [AcTcB4]
_chemical_formula_sum '[Ac4 Tc4 B16]'
_cell_volume [289.5071]
_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
[
  Ac  Ac0  4  0.1216  0.1523  0.0000  1
  Tc  Tc1  4  0.1252  0.4170  0.0000  1
  B  B2  4  0.0192  0.6819  0.5000  1
  B  B3  4  0.1090  0.5435  0.5000  1
  B  B4  4  0.1499  0.9668  0.5000  1
  B  B5  4  0.2302  0.8235  0.5000  1
]