data_[Sm12Tm4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2014]
_cell_length_b [4.4135]
_cell_length_c [10.7682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3TmBi2]
_chemical_formula_sum '[Sm12 Tm4 Bi8]'
_cell_volume [801.0987]
_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  0.0184  0.0000  0.6568  1
  Sm  Sm1  4  0.1579  0.5000  0.5008  1
  Sm  Sm2  4  0.1602  0.5000  0.9510  1
  Tm  Tm3  4  0.1626  0.0000  0.2233  1
  Bi  Bi4  4  0.0359  0.5000  0.1668  1
  Bi  Bi5  4  0.2078  0.0000  0.7465  1
]