data_[Tm10Sc8In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3154]
_cell_length_b [8.5677]
_cell_length_c [21.6513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm5(Sc2In)2]
_chemical_formula_sum '[Tm10 Sc8 In4]'
_cell_volume [615.0105]
_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  0.0000  0.2033  0.1426  1
  Tm  Tm1  2  0.0000  0.5000  0.5000  1
  Sc  Sc2  4  0.0000  0.0000  0.2676  1
  Sc  Sc3  4  0.0000  0.3231  0.0000  1
  In  In4  4  0.0000  0.0000  0.4020  1
]