data_[Ho6Tm4Th2S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9717]
_cell_length_b [3.8900]
_cell_length_c [7.8326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3Tm2ThS6]
_chemical_formula_sum '[Ho6 Tm4 Th2 S12]'
_cell_volume [504.1715]
_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  0.1618  0.0000  0.8339  1
  Ho  Ho1  2  0.0000  0.5000  0.5000  1
  Tm  Tm2  4  0.1645  0.0000  0.3297  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  S  S4  4  0.0024  0.0000  0.2638  1
  S  S5  4  0.1690  0.5000  0.5812  1
  S  S6  4  0.1731  0.5000  0.0902  1
]