data_[Tm2Zr4Sc8]
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 [P1]
_cell_length_a [5.5248]
_cell_length_b [7.8076]
_cell_length_c [8.7575]
_cell_angle_alpha [88.8294]
_cell_angle_beta [77.4133]
_cell_angle_gamma [71.9038]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tm(ZrSc2)2]
_chemical_formula_sum '[Tm2 Zr4 Sc8]'
_cell_volume [349.9846]
_cell_formula_units_Z [2]
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  0.1282  0.8111  0.8891  1.0
  Tm  Tm1  1  0.5809  0.0255  0.7879  1.0
  Zr  Zr2  1  0.2433  0.3713  0.0242  1.0
  Zr  Zr3  1  0.2937  0.3088  0.3737  1.0
  Zr  Zr4  1  0.3980  0.8599  0.5053  1.0
  Zr  Zr5  1  0.7381  0.5016  0.3100  1.0
  Sc  Sc6  1  0.0403  0.2398  0.7212  1.0
  Sc  Sc7  1  0.1383  0.6999  0.2470  1.0
  Sc  Sc8  1  0.4233  0.9697  0.1612  1.0
  Sc  Sc9  1  0.4842  0.4511  0.6589  1.0
  Sc  Sc10  1  0.6879  0.5855  0.9605  1.0
  Sc  Sc11  1  0.8082  0.1897  0.0888  1.0
  Sc  Sc12  1  0.8520  0.0845  0.4291  1.0
  Sc  Sc13  1  0.9337  0.6516  0.5931  1.0
]