data_[Tb6As6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0411]
_cell_length_b [4.1496]
_cell_length_c [12.0652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbAsPd]
_chemical_formula_sum '[Tb6 As6 Pd6]'
_cell_volume [352.5027]
_cell_formula_units_Z [6]
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
[
  Tb  Tb0  2  0.0340  0.7500  0.7062  1
  Tb  Tb1  2  0.3306  0.2500  0.0776  1
  Tb  Tb2  2  0.4694  0.2500  0.3759  1
  As  As3  2  0.2473  0.2500  0.5809  1
  As  As4  2  0.2509  0.7500  0.9119  1
  As  As5  2  0.2589  0.7500  0.2495  1
  Pd  Pd6  2  0.0017  0.7500  0.0910  1
  Pd  Pd7  2  0.1455  0.7500  0.4577  1
  Pd  Pd8  2  0.3725  0.2500  0.7934  1
]