data_[Ho4Th4B16]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.2703]
_cell_length_b [12.2919]
_cell_length_c [4.0495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [HoThB4]
_chemical_formula_sum '[Ho4 Th4 B16]'
_cell_volume [312.1148]
_cell_formula_units_Z [4]
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  0.1403  0.4128  0.0000  1
  Th  Th1  4  0.1301  0.1546  0.0000  1
  B  B2  4  0.0323  0.6933  0.5000  1
  B  B3  4  0.1184  0.5486  0.5000  1
  B  B4  4  0.1285  0.9739  0.5000  1
  B  B5  4  0.2073  0.8094  0.5000  1
]