data_[Cs4Pr2Cu4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [15.7635]
_cell_length_b [4.2190]
_cell_length_c [8.5248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Pr(CuSe2)2]
_chemical_formula_sum '[Cs4 Pr2 Cu4 Se8]'
_cell_volume [538.0627]
_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
[
  Cs  Cs0  4  0.1360  0.0000  0.5606  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1749  0.5000  0.9814  1.0
  Se  Se3  4  0.0235  0.5000  0.7721  1.0
  Se  Se4  4  0.2017  0.0000  0.1458  1.0
]