data_[Er8Tm4Sc4]
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 [P2/c]
_cell_length_a [6.7494]
_cell_length_b [6.6866]
_cell_length_c [10.6660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Er2TmSc]
_chemical_formula_sum '[Er8 Tm4 Sc4]'
_cell_volume [481.3578]
_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  4  0.1236  0.3722  0.6134  1
  Er  Er1  4  0.3685  0.1231  0.3842  1
  Tm  Tm2  4  0.3756  0.3733  0.8909  1
  Sc  Sc3  4  0.1225  0.1240  0.1114  1
]