data_[Y2Ho6Sc4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9539]
_cell_length_b [12.0094]
_cell_length_c [6.9530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YHo3(ScSe3)2]
_chemical_formula_sum '[Y2 Ho6 Sc4 Se12]'
_cell_volume [546.5835]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1.0
  Ho  Ho1  4  0.0000  0.1608  0.5000  1.0
  Ho  Ho2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  4  0.0000  0.3350  0.0000  1.0
  Se  Se4  8  0.2474  0.3278  0.7563  1.0
  Se  Se5  4  0.2362  0.5000  0.2388  1.0
]