data_[Sm12Bi4C4]
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 [Cmcm]
_cell_length_a [5.0143]
_cell_length_b [22.4006]
_cell_length_c [4.9520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm3BiC]
_chemical_formula_sum '[Sm12 Bi4 C4]'
_cell_volume [556.2274]
_cell_formula_units_Z [4]
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  0.0000  0.0567  0.7500  1.0
  Sm  Sm1  4  0.0000  0.1791  0.2500  1.0
  Sm  Sm2  4  0.0000  0.4308  0.7500  1.0
  Bi  Bi3  4  0.0000  0.3280  0.2500  1.0
  C  C4  4  0.0000  0.0751  0.2500  1.0
]