data_[Ho8Th2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0539]
_cell_length_b [5.7988]
_cell_length_c [20.5949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ho4ThSe5]
_chemical_formula_sum '[Ho8 Th2 Se10]'
_cell_volume [484.1347]
_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  0.0000  0.0000  0.2018  1
  Ho  Ho1  4  0.0000  0.0000  0.4030  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.5000  0.1985  1
  Se  Se4  4  0.0000  0.5000  0.3937  1
  Se  Se5  2  0.0000  0.5000  0.0000  1
]