data_[Na2Sm2Tl4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4258]
_cell_length_b [7.7890]
_cell_length_c [12.9439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaSm(TlCl3)2]
_chemical_formula_sum '[Na2 Sm2 Tl4 Cl12]'
_cell_volume [617.8095]
_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
[
  Na  Na0  2  0.5000  0.0000  0.0000  1.0
  Sm  Sm1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2734  0.0681  0.2527  1.0
  Cl  Cl3  4  0.1474  0.0266  0.7452  1.0
  Cl  Cl4  4  0.2407  0.7100  0.5502  1.0
  Cl  Cl5  4  0.3433  0.1932  0.5466  1.0
]