data_[Tm9Zr6Sc9]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [8.7421]
_cell_length_b [8.7421]
_cell_length_c [9.6747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Tm3Zr2Sc3]
_chemical_formula_sum '[Tm9 Zr6 Sc9]'
_cell_volume [640.3317]
_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  9  0.0000  0.7160  0.0000  1
  Zr  Zr1  6  0.0000  0.0000  0.3221  1
  Sc  Sc2  9  0.0000  0.3132  0.5000  1
]