data_[La2Sm16C8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5516]
_cell_length_b [3.6859]
_cell_length_c [12.7553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.0031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La(Sm2C)4]
_chemical_formula_sum '[La2 Sm16 C8]'
_cell_volume [648.1424]
_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  2  0.0000  0.5000  0.0000  1
  Sm  Sm1  4  0.0414  0.5000  0.7337  1
  Sm  Sm2  4  0.1385  0.0000  0.5986  1
  Sm  Sm3  4  0.1651  0.0000  0.3469  1
  Sm  Sm4  4  0.2060  0.0000  0.0663  1
  C  C5  4  0.1508  0.5000  0.4687  1
  C  C6  4  0.1682  0.0000  0.8267  1
]