data_[Tm1Sc3Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.3278]
_cell_length_b [5.3278]
_cell_length_c [8.5042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TmSc3Zn8]
_chemical_formula_sum '[Tm1 Sc3 Zn8]'
_cell_volume [209.0518]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5655  1
  Sc  Sc1  1  0.0000  0.0000  0.9452  1
  Sc  Sc2  1  0.6667  0.3333  0.0573  1
  Sc  Sc3  1  0.6667  0.3333  0.4313  1
  Zn  Zn4  3  0.1632  0.3265  0.2478  1
  Zn  Zn5  3  0.5044  0.0088  0.7525  1
  Zn  Zn6  1  0.3333  0.6667  0.0000  1
  Zn  Zn7  1  0.3333  0.6667  0.4997  1
]