data_[Rb2Al2P4Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.1957]
_cell_length_b [10.3816]
_cell_length_c [7.0687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbAlP2Se7]
_chemical_formula_sum '[Rb2 Al2 P4 Se14]'
_cell_volume [669.1574]
_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
[
  Rb  Rb0  2  0.0000  0.0724  0.5000  1.0
  Al  Al1  2  0.0000  0.4931  0.0000  1.0
  P  P2  4  0.2040  0.8392  0.0721  1.0
  Se  Se3  4  0.1522  0.6592  0.2166  1.0
  Se  Se4  4  0.1590  0.4674  0.7272  1.0
  Se  Se5  4  0.1743  0.3251  0.1780  1.0
  Se  Se6  2  0.0000  0.9711  0.0000  1.0
]