data_[Rb2Al2P2]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9668]
_cell_length_b [5.2581]
_cell_length_c [12.0297]
_cell_angle_alpha [81.3648]
_cell_angle_beta [83.7078]
_cell_angle_gamma [67.8366]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbAlP]
_chemical_formula_sum '[Rb2 Al2 P2]'
_cell_volume [229.3553]
_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  1  0.3414  0.3928  0.1268  1.0
  Rb  Rb1  1  0.8363  0.0317  0.6796  1.0
  Al  Al2  1  0.0190  0.8801  0.3702  1.0
  Al  Al3  1  0.7394  0.4069  0.4175  1.0
  P  P4  1  0.1556  0.5038  0.5240  1.0
  P  P5  1  0.6058  0.7754  0.2651  1.0
]