data_[Ho4Er16Sc4]
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 [Cmc2_1]
_cell_length_a [3.4965]
_cell_length_b [18.1290]
_cell_length_c [11.2421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HoEr4Sc]
_chemical_formula_sum '[Ho4 Er16 Sc4]'
_cell_volume [712.6251]
_cell_formula_units_Z [4]
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  4  0.0000  0.3317  0.2731  1.0
  Er  Er1  4  0.0000  0.0002  0.2686  1.0
  Er  Er2  4  0.0000  0.1141  0.5185  1.0
  Er  Er3  4  0.0000  0.3316  0.7639  1.0
  Er  Er4  4  0.0000  0.4428  0.5185  1.0
  Sc  Sc5  4  0.0000  0.2228  0.0184  1.0
]