data_[Ac4Be4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.5401]
_cell_length_b [4.5401]
_cell_length_c [15.2895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [AcBeSn]
_chemical_formula_sum '[Ac4 Be4 Sn4]'
_cell_volume [315.1518]
_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  0.0000  0.0000  0.4174  1
  Be  Be1  4  0.0000  0.0000  0.8332  1
  Sn  Sn2  4  0.0000  0.0000  0.9994  1
]