data_[Tm16Th4In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0869]
_cell_length_b [6.4855]
_cell_length_c [6.5736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Th2In]
_chemical_formula_sum '[Tm16 Th4 In2]'
_cell_volume [672.0812]
_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  8  0.0815  0.2588  0.3836  1
  Tm  Tm1  4  0.0937  0.5000  0.9171  1
  Tm  Tm2  4  0.2486  0.0000  0.3239  1
  Th  Th3  4  0.1904  0.0000  0.8050  1
  In  In4  2  0.0000  0.0000  0.0000  1
]