data_[Y2Er8Sc6]
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 [Pmn2_1]
_cell_length_a [10.8493]
_cell_length_b [6.9925]
_cell_length_c [6.0563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [YEr4Sc3]
_chemical_formula_sum '[Y2 Er8 Sc6]'
_cell_volume [459.4602]
_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  2  0.0000  0.6190  0.8486  1.0
  Er  Er1  4  0.2452  0.1303  0.5179  1.0
  Er  Er2  2  0.0000  0.1291  0.8602  1.0
  Er  Er3  2  0.0000  0.8694  0.3522  1.0
  Sc  Sc4  4  0.2492  0.6211  0.5195  1.0
  Sc  Sc5  2  0.0000  0.3788  0.3491  1.0
]