data_[Ho2Er8Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4441]
_cell_length_b [7.9591]
_cell_length_c [8.4682]
_cell_angle_alpha [91.0886]
_cell_angle_beta [99.3191]
_cell_angle_gamma [106.3238]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ho(Er2Sc)2]
_chemical_formula_sum '[Ho2 Er8 Sc4]'
_cell_volume [410.3643]
_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
[
  Ho  Ho0  1  0.3727  0.0139  0.8956  1.0
  Ho  Ho1  1  0.9713  0.2276  0.7702  1.0
  Er  Er2  1  0.0824  0.9446  0.4768  1.0
  Er  Er3  1  0.2570  0.2861  0.1875  1.0
  Er  Er4  1  0.3117  0.7680  0.1990  1.0
  Er  Er5  1  0.4679  0.3045  0.6273  1.0
  Er  Er6  1  0.5819  0.8697  0.5959  1.0
  Er  Er7  1  0.7764  0.4230  0.0651  1.0
  Er  Er8  1  0.8224  0.8882  0.0785  1.0
  Er  Er9  1  0.9192  0.6502  0.7654  1.0
  Sc  Sc10  1  0.1417  0.5280  0.4830  1.0
  Sc  Sc11  1  0.3985  0.5883  0.8747  1.0
  Sc  Sc12  1  0.6737  0.5827  0.3785  1.0
  Sc  Sc13  1  0.7231  0.1753  0.3526  1.0
]