data_[Cs3Ta9Pd12Se36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [R32]
_cell_length_a [15.0356]
_cell_length_b [15.0356]
_cell_length_c [8.3110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsTa3(PdSe3)4]
_chemical_formula_sum '[Cs3 Ta9 Pd12 Se36]'
_cell_volume [1627.1395]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.0000  1
  Ta  Ta1  9  0.0000  0.5552  0.0000  1
  Pd  Pd2  9  0.0000  0.4463  0.5000  1
  Pd  Pd3  3  0.0000  0.0000  0.5000  1
  Se  Se4  18  0.0466  0.4668  0.7971  1
  Se  Se5  9  0.0000  0.6075  0.5000  1
  Se  Se6  9  0.0000  0.8352  0.5000  1
]