data_[Ho4Zr12Sc12]
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 [10.8524]
_cell_length_b [5.0240]
_cell_length_c [12.8324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho(ZrSc)3]
_chemical_formula_sum '[Ho4 Zr12 Sc12]'
_cell_volume [693.8223]
_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  0.1467  0.5000  0.0136  1
  Zr  Zr1  4  0.0133  0.5000  0.2320  1
  Zr  Zr2  4  0.0924  0.0000  0.8427  1
  Zr  Zr3  4  0.2117  0.0000  0.1949  1
  Sc  Sc4  4  0.0737  0.0000  0.3928  1
  Sc  Sc5  4  0.1234  0.5000  0.5659  1
  Sc  Sc6  4  0.2414  0.0000  0.6411  1
]