data_[Tb12P4Pd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8473]
_cell_length_b [4.0422]
_cell_length_c [8.2300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6P2PdSe3]
_chemical_formula_sum '[Tb12 P4 Pd2 Se6]'
_cell_volume [576.9313]
_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
[
  Tb  Tb0  4  0.0050  0.0000  0.2463  1.0
  Tb  Tb1  4  0.1673  0.5000  0.0984  1.0
  Tb  Tb2  4  0.1717  0.5000  0.5726  1.0
  P  P3  4  0.1671  0.0000  0.3348  1.0
  Pd  Pd4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1668  0.0000  0.8324  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]