data_[Ho6Tm2Th4As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0751]
_cell_length_b [4.1594]
_cell_length_c [8.2837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3Tm(ThAs3)2]
_chemical_formula_sum '[Ho6 Tm2 Th4 As12]'
_cell_volume [606.4293]
_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  0.1665  0.0000  0.8340  1
  Ho  Ho1  2  0.0000  0.5000  0.5000  1
  Tm  Tm2  2  0.0000  0.5000  0.0000  1
  Th  Th3  4  0.1646  0.0000  0.3297  1
  As  As4  4  0.0026  0.0000  0.7532  1
  As  As5  4  0.1650  0.5000  0.5881  1
  As  As6  4  0.1656  0.5000  0.0757  1
]