data_[Ac4Fe1Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.6422]
_cell_length_b [4.7964]
_cell_length_c [17.9485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ac4FeSn8]
_chemical_formula_sum '[Ac4 Fe1 Sn8]'
_cell_volume [399.6330]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1033  1
  Ac  Ac1  1  0.0000  0.5000  0.6035  1
  Ac  Ac2  1  0.5000  0.0000  0.8970  1
  Ac  Ac3  1  0.5000  0.5000  0.3966  1
  Fe  Fe4  1  0.0000  0.0000  0.3041  1
  Sn  Sn5  1  0.0000  0.0000  0.4500  1
  Sn  Sn6  1  0.0000  0.0000  0.7460  1
  Sn  Sn7  1  0.0000  0.5000  0.2450  1
  Sn  Sn8  1  0.0000  0.5000  0.9447  1
  Sn  Sn9  1  0.5000  0.0000  0.2455  1
  Sn  Sn10  1  0.5000  0.0000  0.5584  1
  Sn  Sn11  1  0.5000  0.5000  0.0547  1
  Sn  Sn12  1  0.5000  0.5000  0.7541  1
]