data_[Ho4Th6Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4202]
_cell_length_b [3.5902]
_cell_length_c [12.2297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho2Th3Sc]
_chemical_formula_sum '[Ho4 Th6 Sc2]'
_cell_volume [369.6953]
_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  0.0861  0.2500  0.8898  1
  Ho  Ho1  2  0.3466  0.7500  0.4498  1
  Th  Th2  2  0.0886  0.2500  0.6070  1
  Th  Th3  2  0.3562  0.7500  0.0651  1
  Th  Th4  2  0.3940  0.7500  0.7536  1
  Sc  Sc5  2  0.1818  0.2500  0.2544  1
]