data_[Y20Tm12In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.8032]
_cell_length_b [15.7802]
_cell_length_c [6.2835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Y5Tm3In2]
_chemical_formula_sum '[Y20 Tm12 In8]'
_cell_volume [1269.4996]
_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
[
  Y  Y0  8  0.1248  0.3328  0.5000  1
  Y  Y1  8  0.2487  0.0000  0.2500  1
  Y  Y2  4  0.0000  0.5000  0.2500  1
  Tm  Tm3  8  0.1042  0.2178  0.0000  1
  Tm  Tm4  4  0.0000  0.0000  0.2500  1
  In  In5  8  0.1347  0.1450  0.5000  1
]