data_[Y4Cu4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3732]
_cell_length_b [7.0198]
_cell_length_c [6.7672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YCuS2]
_chemical_formula_sum '[Y4 Cu4 S8]'
_cell_volume [300.4105]
_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  0.1934  0.5478  0.3009  1
  Cu  Cu1  4  0.4190  0.1614  0.4502  1
  S  S2  4  0.0735  0.2268  0.4968  1
  S  S3  4  0.4086  0.6138  0.7196  1
]