data_[Ca2Ac10Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5570]
_cell_length_b [5.6693]
_cell_length_c [7.8344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaAc5Sn4]
_chemical_formula_sum '[Ca2 Ac10 Sn8]'
_cell_volume [779.5827]
_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
[
  Ca  Ca0  2  0.0000  0.5000  0.0000  1
  Ac  Ac1  4  0.1601  0.0000  0.9932  1
  Ac  Ac2  4  0.1660  0.0000  0.5064  1
  Ac  Ac3  2  0.0000  0.5000  0.5000  1
  Sn  Sn4  4  0.0082  0.0000  0.2451  1
  Sn  Sn5  4  0.1765  0.5000  0.7523  1
]