data_[Y4Cu2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.0475]
_cell_length_b [5.9009]
_cell_length_c [8.0963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y2CuSe4]
_chemical_formula_sum '[Y4 Cu2 Se8]'
_cell_volume [322.5776]
_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
[
  Y  Y0  2  0.2268  0.7500  0.9302  1.0
  Y  Y1  2  0.2409  0.7500  0.4351  1.0
  Cu  Cu2  2  0.2371  0.2500  0.1840  1.0
  Se  Se3  4  0.4842  0.0089  0.7466  1.0
  Se  Se4  2  0.0686  0.2500  0.8836  1.0
  Se  Se5  2  0.0707  0.2500  0.4015  1.0
]