data_[Ho2Sc4Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3306]
_cell_length_b [7.0181]
_cell_length_c [13.0019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ho(ScCu3)2]
_chemical_formula_sum '[Ho2 Sc4 Cu12]'
_cell_volume [303.9110]
_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  0.0000  1
  Sc  Sc1  4  0.0000  0.5000  0.1381  1
  Cu  Cu2  8  0.0000  0.3153  0.3224  1
  Cu  Cu3  4  0.0000  0.1771  0.5000  1
]