data_[Sm12Bi6C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7378]
_cell_length_b [8.3505]
_cell_length_c [12.4931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm6Bi3C]
_chemical_formula_sum '[Sm12 Bi6 C2]'
_cell_volume [600.9175]
_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  0.0918  0.0425  0.2241  1
  Sm  Sm1  4  0.1819  0.7232  0.0542  1
  Sm  Sm2  4  0.3741  0.1510  0.0490  1
  Bi  Bi3  4  0.3182  0.1084  0.7437  1
  Bi  Bi4  2  0.5000  0.0000  0.5000  1
  C  C5  2  0.0000  0.0000  0.0000  1
]