data_[Rb2Pr1Th1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5147]
_cell_length_b [4.3444]
_cell_length_c [8.4662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Rb2PrThSe4]
_chemical_formula_sum '[Rb2 Pr1 Th1 Se4]'
_cell_volume [264.0745]
_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  0.0000  0.5000  0.5000  1
  Rb  Rb1  1  0.5000  0.0000  0.5000  1
  Pr  Pr2  1  0.5000  0.5000  0.0000  1
  Th  Th3  1  0.0000  0.0000  0.0000  1
  Se  Se4  2  0.2283  0.5000  0.2040  1
  Se  Se5  2  0.2571  0.0000  0.7945  1
]