data_[Er12Sc2Al4]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3231]
_cell_length_b [3.5683]
_cell_length_c [11.4725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6ScAl2]
_chemical_formula_sum '[Er12 Sc2 Al4]'
_cell_volume [480.3805]
_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  0.0261  0.0000  0.3334  1
  Er  Er1  4  0.1779  0.5000  0.8788  1
  Er  Er2  4  0.1901  0.5000  0.5932  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
  Al  Al4  4  0.1445  0.5000  0.1886  1
]