data_[Sm6Mo4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2290]
_cell_length_b [3.2693]
_cell_length_c [7.7424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3(MoC2)2]
_chemical_formula_sum '[Sm6 Mo4 C8]'
_cell_volume [277.3242]
_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
[
  Sm  Sm0  4  0.0982  0.5000  0.3878  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Mo  Mo2  4  0.1972  0.5000  0.8385  1
  C  C3  4  0.0753  0.0000  0.7055  1
  C  C4  4  0.1703  0.5000  0.0968  1
]