data_[Er16Tm8Sc12]
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 [C2/c]
_cell_length_a [16.5907]
_cell_length_b [9.6216]
_cell_length_c [6.5033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er4Tm2Sc3]
_chemical_formula_sum '[Er16 Tm8 Sc12]'
_cell_volume [1036.8723]
_cell_formula_units_Z [4]
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  8  0.0222  0.1728  0.0085  1.0
  Er  Er1  8  0.1883  0.3751  0.9163  1.0
  Tm  Tm2  8  0.1588  0.2875  0.4065  1.0
  Sc  Sc3  8  0.1567  0.0398  0.7437  1.0
  Sc  Sc4  4  0.0000  0.4904  0.7500  1.0
]