data_[Y2Er4Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3622]
_cell_length_b [8.0504]
_cell_length_c [8.7430]
_cell_angle_alpha [65.6422]
_cell_angle_beta [72.1618]
_cell_angle_gamma [77.7239]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Y(ErSc2)2]
_chemical_formula_sum '[Y2 Er4 Sc8]'
_cell_volume [386.4025]
_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
[
  Y  Y0  1  0.2108  0.8578  0.8286  1.0
  Y  Y1  1  0.4686  0.8183  0.1349  1.0
  Er  Er2  1  0.3185  0.2492  0.8467  1.0
  Er  Er3  1  0.3539  0.4302  0.1159  1.0
  Er  Er4  1  0.5037  0.0032  0.4027  1.0
  Er  Er5  1  0.6093  0.3910  0.4218  1.0
  Sc  Sc6  1  0.0241  0.0971  0.2823  1.0
  Sc  Sc7  1  0.0701  0.2929  0.5455  1.0
  Sc  Sc8  1  0.1641  0.6690  0.5661  1.0
  Sc  Sc9  1  0.6575  0.5805  0.6833  1.0
  Sc  Sc10  1  0.7511  0.9593  0.7024  1.0
  Sc  Sc11  1  0.7980  0.1547  0.9674  1.0
  Sc  Sc12  1  0.8803  0.5260  0.9906  1.0
  Sc  Sc13  1  0.9400  0.7208  0.2619  1.0
]