data_[Rb1Ba2Pr1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9047]
_cell_length_b [4.6105]
_cell_length_c [8.1241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbBa2PrSe4]
_chemical_formula_sum '[Rb1 Ba2 Pr1 Se4]'
_cell_volume [280.3894]
_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  0.5000  0.5000  0.0000  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Ba  Ba2  1  0.0000  0.5000  0.5000  1.0
  Pr  Pr3  1  0.5000  0.0000  0.5000  1.0
  Se  Se4  2  0.2586  0.0000  0.7230  1.0
  Se  Se5  2  0.2691  0.5000  0.2743  1.0
]