data_[Rb2P1Se5]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4531]
_cell_length_b [7.1301]
_cell_length_c [7.2091]
_cell_angle_alpha [109.4138]
_cell_angle_beta [95.5971]
_cell_angle_gamma [100.0663]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb2PSe5]
_chemical_formula_sum '[Rb2 P1 Se5]'
_cell_volume [303.6694]
_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  1  0.3269  0.5173  0.8365  1.0
  Rb  Rb1  1  0.8117  0.7411  0.4037  1.0
  P  P2  1  0.8514  0.0757  0.0111  1.0
  Se  Se3  1  0.1884  0.2110  0.2392  1.0
  Se  Se4  1  0.2687  0.5627  0.3441  1.0
  Se  Se5  1  0.6490  0.1510  0.2447  1.0
  Se  Se6  1  0.8104  0.2102  0.7849  1.0
  Se  Se7  1  0.8706  0.7541  0.9128  1.0
]