data_[Cs2Pr2Cu2Se6]
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 [P2_1/m]
_cell_length_a [9.8727]
_cell_length_b [4.2724]
_cell_length_c [10.1786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsPrCuSe3]
_chemical_formula_sum '[Cs2 Pr2 Cu2 Se6]'
_cell_volume [404.8407]
_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  2  0.2055  0.2500  0.2456  1.0
  Pr  Pr1  2  0.3276  0.7500  0.8570  1.0
  Cu  Cu2  2  0.0848  0.2500  0.6139  1.0
  Se  Se3  2  0.1184  0.2500  0.8606  1.0
  Se  Se4  2  0.1657  0.7500  0.5417  1.0
  Se  Se5  2  0.4693  0.7500  0.1638  1.0
]