data_[Rb4Pr4Mg4Se12]
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
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.6383]
_cell_length_b [4.3624]
_cell_length_c [15.3424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbPrMgSe3]
_chemical_formula_sum '[Rb4 Pr4 Mg4 Se12]'
_cell_volume [778.9492]
_cell_formula_units_Z [4]
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  4  0.2185  0.7500  0.0058  1
  Pr  Pr1  4  0.0149  0.2500  0.2619  1
  Mg  Mg2  4  0.2336  0.2500  0.7849  1
  Se  Se3  4  0.0427  0.2500  0.8659  1
  Se  Se4  4  0.0891  0.7500  0.3820  1
  Se  Se5  4  0.2380  0.7500  0.6883  1
]