data_[Ho1Zr4Sc15]
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 [P4/mmm]
_cell_length_a [4.5773]
_cell_length_b [4.5773]
_cell_length_c [23.0692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [HoZr4Sc15]
_chemical_formula_sum '[Ho1 Zr4 Sc15]'
_cell_volume [483.3392]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1
  Zr  Zr1  2  0.0000  0.0000  0.2023  1
  Zr  Zr2  2  0.0000  0.0000  0.4015  1
  Sc  Sc3  4  0.0000  0.5000  0.1070  1
  Sc  Sc4  4  0.0000  0.5000  0.3032  1
  Sc  Sc5  2  0.0000  0.5000  0.5000  1
  Sc  Sc6  2  0.5000  0.5000  0.2036  1
  Sc  Sc7  2  0.5000  0.5000  0.4011  1
  Sc  Sc8  1  0.5000  0.5000  0.0000  1
]