data_[Rb4P2Pd1Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P-1]
_cell_length_a [6.9765]
_cell_length_b [7.4387]
_cell_length_c [9.8928]
_cell_angle_alpha [87.9683]
_cell_angle_beta [82.1443]
_cell_angle_gamma [86.5339]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb4P2PdSe8]
_chemical_formula_sum '[Rb4 P2 Pd1 Se8]'
_cell_volume [507.4585]
_cell_formula_units_Z [1]
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
[
  Rb  Rb0  2  0.2536  0.7780  0.5209  1
  Rb  Rb1  2  0.2788  0.3360  0.1393  1
  P  P2  2  0.1721  0.2670  0.7419  1
  Pd  Pd3  1  0.0000  0.0000  0.0000  1
  Se  Se4  2  0.1347  0.8133  0.1804  1
  Se  Se5  2  0.2255  0.5305  0.8184  1
  Se  Se6  2  0.2397  0.2562  0.5183  1
  Se  Se7  2  0.3167  0.0378  0.8560  1
]