data_[Ac4In2Sn5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0032]
_cell_length_b [4.8400]
_cell_length_c [9.3596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4In2Sn5]
_chemical_formula_sum '[Ac4 In2 Sn5]'
_cell_volume [362.5526]
_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  2  0.2320  0.5000  0.8701  1
  Ac  Ac1  2  0.2481  0.5000  0.3823  1
  In  In2  2  0.0919  0.0000  0.6281  1
  Sn  Sn3  2  0.1225  0.0000  0.1214  1
  Sn  Sn4  2  0.4525  0.0000  0.6591  1
  Sn  Sn5  1  0.5000  0.0000  0.0000  1
]