data_[Ta3Pd6Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.1407]
_cell_length_b [6.1407]
_cell_length_c [18.4077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ta(PdSe3)2]
_chemical_formula_sum '[Ta3 Pd6 Se18]'
_cell_volume [601.1247]
_cell_formula_units_Z [3]
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
[
  Ta  Ta0  3  0.0000  0.0000  0.3523  1
  Pd  Pd1  3  0.0000  0.0000  0.5138  1
  Pd  Pd2  3  0.0000  0.0000  0.6915  1
  Se  Se3  9  0.0077  0.3121  0.0992  1
  Se  Se4  9  0.0195  0.6805  0.6035  1
]