data_[Sm6Sc2Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.7734]
_cell_length_b [9.0015]
_cell_length_c [7.7799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Sm3ScBi4]
_chemical_formula_sum '[Sm6 Sc2 Bi8]'
_cell_volume [513.1691]
_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  2  0.0000  0.3741  0.2500  1
  Sm  Sm1  2  0.5000  0.1243  0.2500  1
  Sm  Sm2  2  0.5000  0.3736  0.7500  1
  Sc  Sc3  2  0.0000  0.1246  0.7500  1
  Bi  Bi4  4  0.2364  0.1178  0.5002  1
  Bi  Bi5  4  0.2439  0.3684  0.9934  1
]