data_[Ho2Zr4Sc8]
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 [P1]
_cell_length_a [5.5227]
_cell_length_b [7.8341]
_cell_length_c [8.7749]
_cell_angle_alpha [88.7958]
_cell_angle_beta [76.4817]
_cell_angle_gamma [71.8166]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ho(ZrSc2)2]
_chemical_formula_sum '[Ho2 Zr4 Sc8]'
_cell_volume [350.1451]
_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  0.1964  0.1029  0.1450  1.0
  Ho  Ho1  1  0.6601  0.3428  0.0323  1.0
  Zr  Zr2  1  0.0492  0.6428  0.6188  1.0
  Zr  Zr3  1  0.2943  0.6964  0.2736  1.0
  Zr  Zr4  1  0.6454  0.4387  0.6708  1.0
  Zr  Zr5  1  0.9255  0.0433  0.5042  1.0
  Sc  Sc6  1  0.1114  0.5624  0.9667  1.0
  Sc  Sc7  1  0.3613  0.1843  0.7678  1.0
  Sc  Sc8  1  0.4052  0.2840  0.4214  1.0
  Sc  Sc9  1  0.4843  0.8343  0.5537  1.0
  Sc  Sc10  1  0.5416  0.7636  0.9060  1.0
  Sc  Sc11  1  0.7504  0.8947  0.2136  1.0
  Sc  Sc12  1  0.8601  0.4975  0.3309  1.0
  Sc  Sc13  1  0.9647  0.9624  0.8453  1.0
]