data_[Ca2Ac4Sn10]
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 [I4mm]
_cell_length_a [7.4192]
_cell_length_b [7.4192]
_cell_length_c [8.9753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CaAc2Sn5]
_chemical_formula_sum '[Ca2 Ac4 Sn10]'
_cell_volume [494.0387]
_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  0.0000  0.1404  1
  Ac  Ac1  4  0.0000  0.5000  0.2383  1
  Sn  Sn2  8  0.2122  0.7878  0.4810  1
  Sn  Sn3  2  0.0000  0.0000  0.7365  1
]