data_[Y8Zr4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7498]
_cell_length_b [16.3147]
_cell_length_c [11.5647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y2ZrCuS5]
_chemical_formula_sum '[Y8 Zr4 Cu4 S20]'
_cell_volume [707.5016]
_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  0.0000  0.1130  0.6911  1.0
  Y  Y1  4  0.0000  0.1266  0.3227  1.0
  Zr  Zr2  4  0.0000  0.1865  0.0175  1.0
  Cu  Cu3  4  0.0000  0.4407  0.4381  1.0
  S  S4  4  0.0000  0.0366  0.0460  1.0
  S  S5  4  0.0000  0.2924  0.6772  1.0
  S  S6  4  0.0000  0.3094  0.3546  1.0
  S  S7  4  0.0000  0.3505  0.0099  1.0
  S  S8  4  0.0000  0.4933  0.7667  1.0
]