data_[Sm8Th6Bi16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8598]
_cell_length_b [12.9037]
_cell_length_c [9.1030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.7368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm4Th3Bi8]
_chemical_formula_sum '[Sm8 Th6 Bi16]'
_cell_volume [1073.0140]
_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  0.2500  0.2500  0.5000  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Sm  Sm2  2  0.0000  0.0000  0.5000  1
  Th  Th3  4  0.2500  0.2500  0.0000  1
  Th  Th4  2  0.0000  0.5000  0.5000  1
  Bi  Bi5  4  0.0000  0.2485  0.5000  1
  Bi  Bi6  4  0.0000  0.2564  0.0000  1
  Bi  Bi7  4  0.2424  0.5000  0.0003  1
  Bi  Bi8  4  0.2443  0.5000  0.4889  1
]