data_[Ho2Sc6Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.2555]
_cell_length_b [3.9458]
_cell_length_c [11.4439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho(ScSe2)3]
_chemical_formula_sum '[Ho2 Sc6 Se12]'
_cell_volume [478.2336]
_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  0.0471  0.7500  0.6984  1.0
  Sc  Sc1  2  0.1592  0.7500  0.0866  1.0
  Sc  Sc2  2  0.3159  0.2500  0.5023  1.0
  Sc  Sc3  2  0.4380  0.7500  0.8359  1.0
  Se  Se4  2  0.0813  0.2500  0.9075  1.0
  Se  Se5  2  0.1155  0.7500  0.4674  1.0
  Se  Se6  2  0.2002  0.2500  0.2511  1.0
  Se  Se7  2  0.2620  0.2500  0.7286  1.0
  Se  Se8  2  0.3921  0.7500  0.0601  1.0
  Se  Se9  2  0.4759  0.7500  0.6150  1.0
]