data_[Tm16Sc4In4]
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 [Cmc2_1]
_cell_length_a [3.5998]
_cell_length_b [16.7089]
_cell_length_c [11.2128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm4ScIn]
_chemical_formula_sum '[Tm16 Sc4 In4]'
_cell_volume [674.4384]
_cell_formula_units_Z [4]
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  0.0070  0.7964  1.0
  Tm  Tm1  4  0.0000  0.1494  0.5230  1.0
  Tm  Tm2  4  0.0000  0.3209  0.7494  1.0
  Tm  Tm3  4  0.0000  0.4704  0.5488  1.0
  Sc  Sc4  4  0.0000  0.1863  0.9843  1.0
  In  In5  4  0.0000  0.3380  0.2591  1.0
]