data_[Ac4Sn2Se10]
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 [Pbam]
_cell_length_a [8.4589]
_cell_length_b [12.1482]
_cell_length_c [4.3425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ac2SnSe5]
_chemical_formula_sum '[Ac4 Sn2 Se10]'
_cell_volume [446.2388]
_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  0.0823  0.3292  0.5000  1
  Sn  Sn1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.1384  0.7943  0.0000  1
  Se  Se3  4  0.1948  0.0632  0.5000  1
  Se  Se4  2  0.0000  0.5000  0.0000  1
]