data_[Tm8As12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3026]
_cell_length_b [24.0646]
_cell_length_c [6.8943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm2As3Pd5]
_chemical_formula_sum '[Tm8 As12 Pd20]'
_cell_volume [713.8446]
_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  0.1746  0.2345  1
  Tm  Tm1  4  0.0000  0.4789  0.2749  1
  As  As2  4  0.0000  0.0473  0.4772  1
  As  As3  4  0.0000  0.2239  0.6699  1
  As  As4  4  0.0000  0.3913  0.5674  1
  Pd  Pd5  4  0.0000  0.0536  0.0866  1
  Pd  Pd6  4  0.0000  0.1221  0.7440  1
  Pd  Pd7  4  0.0000  0.2752  0.9783  1
  Pd  Pd8  4  0.0000  0.3004  0.3821  1
  Pd  Pd9  4  0.0000  0.3933  0.9497  1
]