data_[Y8Zn4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.5476]
_cell_length_b [7.8986]
_cell_length_c [6.3376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Y2ZnS4]
_chemical_formula_sum '[Y8 Zn4 S16]'
_cell_volume [678.1601]
_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  0.0000  0.0000  1
  Y  Y1  4  0.2341  0.7500  0.4962  1
  Zn  Zn2  4  0.0922  0.2500  0.4111  1
  S  S3  8  0.1683  0.0139  0.2448  1
  S  S4  4  0.0693  0.7500  0.7422  1
  S  S5  4  0.0907  0.2500  0.7740  1
]