data_[Tm36Zr3Bi18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.8709]
_cell_length_b [14.8709]
_cell_length_c [8.5415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm12ZrBi6]
_chemical_formula_sum '[Tm36 Zr3 Bi18]'
_cell_volume [1635.8287]
_cell_formula_units_Z [3]
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
[
  Tm  Tm0  18  0.0075  0.8743  0.6785  1
  Tm  Tm1  18  0.0673  0.4875  0.6594  1
  Zr  Zr2  3  0.0000  0.0000  0.0000  1
  Bi  Bi3  18  0.0249  0.7621  0.3493  1
]