data_[Pr2Sm2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.4790]
_cell_length_b [3.8864]
_cell_length_c [18.6808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrSmCl4]
_chemical_formula_sum '[Pr2 Sm2 Cl8]'
_cell_volume [978.5863]
_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
[
  Pr  Pr0  2  0.1205  0.7500  0.5019  1
  Sm  Sm1  2  0.3587  0.2500  0.5013  1
  Cl  Cl2  2  0.0399  0.2500  0.5985  1
  Cl  Cl3  2  0.2067  0.2500  0.4053  1
  Cl  Cl4  2  0.2940  0.7500  0.5966  1
  Cl  Cl5  2  0.4600  0.7500  0.4195  1
]