data_[Ho4Tm4Th6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3211]
_cell_length_b [3.4560]
_cell_length_c [8.3897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Tm2Th3]
_chemical_formula_sum '[Ho4 Tm4 Th6]'
_cell_volume [446.2133]
_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  0.0685  0.5000  0.9054  1
  Tm  Tm1  4  0.1466  0.0000  0.3320  1
  Th  Th2  4  0.2128  0.0000  0.7928  1
  Th  Th3  2  0.0000  0.0000  0.5000  1
]