data_[Tm6Sc3Ti3]
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
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.3197]
_cell_length_b [3.3197]
_cell_length_c [31.6491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tm2ScTi]
_chemical_formula_sum '[Tm6 Sc3 Ti3]'
_cell_volume [302.0568]
_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  3  0.0000  0.0000  0.7450  1
  Tm  Tm1  3  0.0000  0.0000  0.9216  1
  Sc  Sc2  3  0.0000  0.0000  0.4997  1
  Ti  Ti3  3  0.0000  0.0000  0.3337  1
]