data_[Sm12Bi4C2]
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 [6.5664]
_cell_length_b [8.1574]
_cell_length_c [11.8447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm6Bi2C]
_chemical_formula_sum '[Sm12 Bi4 C2]'
_cell_volume [539.6973]
_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  0.1322  0.6639  0.9620  1
  Sm  Sm1  4  0.3210  0.2155  0.9566  1
  Sm  Sm2  4  0.3641  0.5261  0.7550  1
  Bi  Bi3  4  0.1788  0.6041  0.2583  1
  C  C4  2  0.5000  0.0000  0.5000  1
]