data_[Ho2Sc4Ag6Se12]
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
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9734]
_cell_length_b [12.0909]
_cell_length_c [6.9590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoSc2(AgSe2)3]
_chemical_formula_sum '[Ho2 Sc4 Ag6 Se12]'
_cell_volume [553.6640]
_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  1.0
  Sc  Sc1  4  0.0000  0.3319  0.0000  1.0
  Ag  Ag2  4  0.0000  0.1604  0.5000  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2496  0.3273  0.7651  1.0
  Se  Se5  4  0.2318  0.5000  0.2351  1.0
]