data_[Ac4Sn4Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3203]
_cell_length_b [11.8782]
_cell_length_c [6.5796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2Sn2Se7]
_chemical_formula_sum '[Ac4 Sn4 Se14]'
_cell_volume [794.6103]
_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
[
  Ac  Ac0  4  0.0000  0.2825  0.5000  1
  Sn  Sn1  4  0.2415  0.0000  0.9272  1
  Se  Se2  8  0.2396  0.3165  0.2687  1
  Se  Se3  4  0.0835  0.5000  0.7462  1
  Se  Se4  2  0.0000  0.0000  0.0000  1
]