data_[Tm6Zr3Sc3]
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 [R3m]
_cell_length_a [3.3928]
_cell_length_b [3.3928]
_cell_length_c [32.3436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tm2ZrSc]
_chemical_formula_sum '[Tm6 Zr3 Sc3]'
_cell_volume [322.4390]
_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  0.6809  1.0
  Tm  Tm1  3  0.0000  0.0000  0.8439  1.0
  Zr  Zr2  3  0.0000  0.0000  0.4284  1.0
  Sc  Sc3  3  0.0000  0.0000  0.2629  1.0
]