data_[Ho4Sc4Ge6]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6478]
_cell_length_b [4.1154]
_cell_length_c [7.3017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Sc2Ge3]
_chemical_formula_sum '[Ho4 Sc4 Ge6]'
_cell_volume [387.0932]
_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  4  0.1215  0.5000  0.8906  1
  Sc  Sc1  4  0.1668  0.0000  0.3311  1
  Ge  Ge2  4  0.2161  0.0000  0.7242  1
  Ge  Ge3  2  0.0000  0.0000  0.0000  1
]