data_[Rb2Pr2Mg2Se6]
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 [P2_1/m]
_cell_length_a [9.5219]
_cell_length_b [4.3956]
_cell_length_c [10.3252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbPrMgSe3]
_chemical_formula_sum '[Rb2 Pr2 Mg2 Se6]'
_cell_volume [413.5481]
_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  0.2022  0.2500  0.2255  1.0
  Pr  Pr1  2  0.3324  0.7500  0.8612  1.0
  Mg  Mg2  2  0.0847  0.2500  0.6063  1.0
  Se  Se3  2  0.1150  0.2500  0.8591  1.0
  Se  Se4  2  0.1940  0.7500  0.5369  1.0
  Se  Se5  2  0.4609  0.7500  0.1561  1.0
]