data_[Ac2Sm2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [16.6338]
_cell_length_b [3.8961]
_cell_length_c [20.2949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [AcSmCl5]
_chemical_formula_sum '[Ac2 Sm2 Cl10]'
_cell_volume [1315.2650]
_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  2  0.2500  0.5000  0.5269  1
  Sm  Sm1  2  0.0000  0.0000  0.5000  1
  Cl  Cl2  4  0.0725  0.5000  0.5797  1
  Cl  Cl3  4  0.1483  0.0000  0.4404  1
  Cl  Cl4  2  0.2500  0.0000  0.6304  1
]