data_[Ho2Zr4Sc16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4240]
_cell_length_b [15.1710]
_cell_length_c [5.4145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho(ZrSc4)2]
_chemical_formula_sum '[Ho2 Zr4 Sc16]'
_cell_volume [549.5582]
_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  2  0.0000  0.0000  0.5000  1
  Zr  Zr1  4  0.0000  0.3087  0.0000  1
  Sc  Sc2  8  0.2254  0.1277  0.1994  1
  Sc  Sc3  4  0.0000  0.2078  0.5000  1
  Sc  Sc4  4  0.0466  0.5000  0.2785  1
]