data_[Er4Sc14Al4]
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 [7.9594]
_cell_length_b [9.0668]
_cell_length_c [7.7452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Sc7Al2]
_chemical_formula_sum '[Er4 Sc14 Al4]'
_cell_volume [533.2937]
_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  0.0000  0.3161  0.5000  1.0
  Sc  Sc1  8  0.1994  0.3218  0.1690  1.0
  Sc  Sc2  4  0.1469  0.0000  0.4179  1.0
  Sc  Sc3  2  0.0000  0.0000  0.0000  1.0
  Al  Al4  4  0.1274  0.5000  0.8398  1.0
]