data_[Y6Tm2Th4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  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 [7.8223]
_cell_length_b [13.5723]
_cell_length_c [7.8051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3Tm(ThBi3)2]
_chemical_formula_sum '[Y6 Tm2 Th4 Bi12]'
_cell_volume [780.7505]
_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
[
  Y  Y0  4  0.0000  0.1706  0.5000  1
  Y  Y1  2  0.0000  0.5000  0.5000  1
  Tm  Tm2  2  0.0000  0.0000  0.0000  1
  Th  Th3  4  0.0000  0.3349  0.0000  1
  Bi  Bi4  8  0.2468  0.1633  0.2527  1
  Bi  Bi5  4  0.2396  0.0000  0.7425  1
]