data_[Cs2Y2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  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 [9.7431]
_cell_length_b [4.1306]
_cell_length_c [10.1382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsYCuSe3]
_chemical_formula_sum '[Cs2 Y2 Cu2 Se6]'
_cell_volume [377.3185]
_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  0.2147  0.2500  0.2482  1.0
  Y  Y1  2  0.3266  0.7500  0.8603  1.0
  Cu  Cu2  2  0.0833  0.2500  0.6103  1.0
  Se  Se3  2  0.1228  0.2500  0.8615  1.0
  Se  Se4  2  0.1801  0.7500  0.5465  1.0
  Se  Se5  2  0.4779  0.7500  0.1628  1.0
]