data_[Tm8Th2As10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Immm]
_cell_length_a [4.1092]
_cell_length_b [5.8222]
_cell_length_c [20.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm4ThAs5]
_chemical_formula_sum '[Tm8 Th2 As10]'
_cell_volume [490.3906]
_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
[
  Tm  Tm0  4  0.0000  0.0000  0.2032  1
  Tm  Tm1  4  0.0000  0.0000  0.3976  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  As  As3  4  0.0000  0.5000  0.1996  1
  As  As4  4  0.0000  0.5000  0.3957  1
  As  As5  2  0.0000  0.5000  0.0000  1
]