data_[Tm2Sc2S2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2688]
_cell_length_b [3.9099]
_cell_length_c [7.2501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmScSO2]
_chemical_formula_sum '[Tm2 Sc2 S2 O4]'
_cell_volume [163.9259]
_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  2  0.3097  0.7500  0.0609  1.0
  Sc  Sc1  2  0.3341  0.7500  0.5626  1.0
  S  S2  2  0.0247  0.2500  0.7692  1.0
  O  O3  2  0.4625  0.2500  0.6030  1.0
  O  O4  2  0.4900  0.2500  0.1327  1.0
]