data_[La4Sm4C4I4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9727]
_cell_length_b [3.9824]
_cell_length_c [8.1250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Sm2C2I2Cl3]
_chemical_formula_sum '[La4 Sm4 C4 I4 Cl6]'
_cell_volume [631.3662]
_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
[
  La  La0  4  0.0013  0.0000  0.2114  1
  Sm  Sm1  4  0.1504  0.5000  0.0936  1
  C  C2  4  0.0359  0.5000  0.0199  1
  I  I3  4  0.1706  0.0000  0.8056  1
  Cl  Cl4  4  0.1544  0.0000  0.3358  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]