data_[Ho6Th2Sc4]
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 [8.4604]
_cell_length_b [3.5826]
_cell_length_c [11.5995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho3ThSc2]
_chemical_formula_sum '[Ho6 Th2 Sc4]'
_cell_volume [351.4759]
_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  0.1166  0.7500  0.4076  1
  Ho  Ho1  2  0.3393  0.2500  0.9473  1
  Ho  Ho2  2  0.4019  0.2500  0.2465  1
  Th  Th3  2  0.1772  0.7500  0.7292  1
  Sc  Sc4  2  0.0717  0.7500  0.1102  1
  Sc  Sc5  2  0.3797  0.2500  0.5532  1
]