data_[Rb4Pr2Cu4Se8]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5110]
_cell_length_b [4.1572]
_cell_length_c [8.2688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Pr(CuSe2)2]
_chemical_formula_sum '[Rb4 Pr2 Cu4 Se8]'
_cell_volume [503.9801]
_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  4  0.1325  0.0000  0.5561  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1795  0.5000  0.9862  1.0
  Se  Se3  4  0.0255  0.5000  0.7645  1.0
  Se  Se4  4  0.2051  0.0000  0.1653  1.0
]