data_[Yb2Cu10S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1029]
_cell_length_b [3.7766]
_cell_length_c [6.6836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YbCu5S4]
_chemical_formula_sum '[Yb2 Cu10 S8]'
_cell_volume [321.8172]
_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
[
  Yb  Yb0  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu1  4  0.1797  0.5000  0.3422  1.0
  Cu  Cu2  4  0.1928  0.0000  0.8619  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
  S  S4  4  0.1160  0.5000  0.9629  1.0
  S  S5  4  0.1329  0.0000  0.4772  1.0
]