data_[Y4Cu4Se8]
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/c]
_cell_length_a [6.6248]
_cell_length_b [7.3419]
_cell_length_c [7.1146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YCuSe2]
_chemical_formula_sum '[Y4 Cu4 Se8]'
_cell_volume [344.1559]
_cell_formula_units_Z [4]
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  4  0.1962  0.0415  0.7992  1.0
  Cu  Cu1  4  0.4249  0.6584  0.9548  1.0
  Se  Se2  4  0.0701  0.7246  0.9965  1.0
  Se  Se3  4  0.4006  0.1125  0.2183  1.0
]