data_[Ho2Sc4In6Se12]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9579]
_cell_length_b [12.0322]
_cell_length_c [8.0496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoSc2(InSe2)3]
_chemical_formula_sum '[Ho2 Sc4 In6 Se12]'
_cell_volume [645.4117]
_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  0.3331  0.0000  1.0
  In  In2  4  0.0000  0.1627  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2403  0.1725  0.2035  1.0
  Se  Se5  4  0.2214  0.5000  0.1996  1.0
]