data_[Ac2Be2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Be  1.5700  1.0500  0.5900
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6895]
_cell_length_b [3.6895]
_cell_length_c [11.3984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [AcBeSb]
_chemical_formula_sum '[Ac2 Be2 Sb2]'
_cell_volume [155.1581]
_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
[
  Ac  Ac0  2  0.0000  0.0000  0.9950  1
  Be  Be1  2  0.0000  0.0000  0.2968  1
  Sb  Sb2  2  0.0000  0.0000  0.7082  1
]