data_[Y4Cu2S8]
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/m]
_cell_length_a [6.6466]
_cell_length_b [5.6465]
_cell_length_c [7.7329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y2CuS4]
_chemical_formula_sum '[Y4 Cu2 S8]'
_cell_volume [277.7259]
_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  0.2339  0.7500  0.4349  1.0
  Y  Y1  2  0.2364  0.7500  0.9321  1.0
  Cu  Cu2  2  0.2482  0.2500  0.1859  1.0
  S  S3  4  0.4829  0.0123  0.7440  1.0
  S  S4  2  0.0666  0.2500  0.8893  1.0
  S  S5  2  0.0674  0.2500  0.3936  1.0
]