data_[Er4Tm8Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1387]
_cell_length_b [8.2492]
_cell_length_c [8.9715]
_cell_angle_alpha [95.7531]
_cell_angle_beta [90.1080]
_cell_angle_gamma [111.7201]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Er2Tm4Sc]
_chemical_formula_sum '[Er4 Tm8 Sc2]'
_cell_volume [419.5563]
_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
[
  Er  Er0  1  0.3448  0.7337  0.3024  1.0
  Er  Er1  1  0.4378  0.5890  0.9457  1.0
  Er  Er2  1  0.7234  0.1590  0.3720  1.0
  Er  Er3  1  0.7737  0.5895  0.4470  1.0
  Tm  Tm4  1  0.0170  0.7386  0.8064  1.0
  Tm  Tm5  1  0.1540  0.0200  0.5211  1.0
  Tm  Tm6  1  0.2006  0.4445  0.5908  1.0
  Tm  Tm7  1  0.2975  0.2995  0.2264  1.0
  Tm  Tm8  1  0.5870  0.8790  0.6662  1.0
  Tm  Tm9  1  0.6304  0.3017  0.7359  1.0
  Tm  Tm10  1  0.8672  0.4399  0.0862  1.0
  Tm  Tm11  1  0.9174  0.8770  0.1574  1.0
  Sc  Sc12  1  0.0597  0.1594  0.8768  1.0
  Sc  Sc13  1  0.4894  0.0193  0.0158  1.0
]