data_[Er12Sc10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6048]
_cell_length_b [12.5503]
_cell_length_c [5.6810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Sc5]
_chemical_formula_sum '[Er12 Sc10]'
_cell_volume [625.1619]
_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  8  0.1894  0.1444  0.1321  1
  Er  Er1  4  0.1875  0.0000  0.6245  1
  Sc  Sc2  4  0.0000  0.2334  0.5000  1
  Sc  Sc3  4  0.0000  0.3729  0.0000  1
  Sc  Sc4  2  0.0000  0.5000  0.5000  1
]