data_[Ho16Er6Sc4]
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 [Cmmm]
_cell_length_a [7.5919]
_cell_length_b [19.3758]
_cell_length_c [5.5268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ho8Er3Sc2]
_chemical_formula_sum '[Ho16 Er6 Sc4]'
_cell_volume [812.9957]
_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  8  0.2099  0.3882  0.5000  1
  Ho  Ho1  4  0.0000  0.1348  0.0000  1
  Ho  Ho2  4  0.0000  0.3249  0.0000  1
  Er  Er3  4  0.2144  0.5000  0.0000  1
  Er  Er4  2  0.0000  0.0000  0.5000  1
  Sc  Sc5  4  0.0000  0.2409  0.5000  1
]