data_[Er10Tm12Sc4]
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 [Pbam]
_cell_length_a [11.2506]
_cell_length_b [19.8511]
_cell_length_c [3.4911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Er5(Tm3Sc)2]
_chemical_formula_sum '[Er10 Tm12 Sc4]'
_cell_volume [779.6811]
_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  4  0.0805  0.2295  0.5000  1
  Er  Er1  4  0.1961  0.9476  0.5000  1
  Er  Er2  2  0.0000  0.5000  0.5000  1
  Tm  Tm3  4  0.0616  0.0824  0.0000  1
  Tm  Tm4  4  0.0856  0.3697  0.0000  1
  Tm  Tm5  4  0.1705  0.6434  0.5000  1
  Sc  Sc6  4  0.1713  0.7931  0.0000  1
]