data_[Y12Tm4Bi12]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [9.3780]
_cell_length_b [9.3780]
_cell_length_c [9.3780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Y3TmBi3]
_chemical_formula_sum '[Y12 Tm4 Bi12]'
_cell_volume [824.7571]
_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
[
  Y  Y0  4  0.0715  0.4285  0.5715  1
  Y  Y1  4  0.1758  0.8242  0.3242  1
  Y  Y2  4  0.1769  0.1769  0.1769  1
  Tm  Tm3  4  0.0744  0.5744  0.9256  1
  Bi  Bi4  12  0.0011  0.2528  0.8740  1
]