data_[Cs2Zr2Cu6Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  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 [5.9538]
_cell_length_b [7.8325]
_cell_length_c [10.3962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZrCu3Se4]
_chemical_formula_sum '[Cs2 Zr2 Cu6 Se8]'
_cell_volume [466.5100]
_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  0.1947  0.2500  0.8800  1
  Zr  Zr1  2  0.1443  0.2500  0.2910  1
  Cu  Cu2  4  0.2831  0.5158  0.5021  1
  Cu  Cu3  2  0.3511  0.7500  0.7007  1
  Se  Se4  4  0.4001  0.5137  0.2897  1
  Se  Se5  2  0.0204  0.2500  0.5108  1
  Se  Se6  2  0.2146  0.7500  0.9031  1
]