data_[Y16Bi4Sb8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4178]
_cell_length_b [14.4454]
_cell_length_c [15.1311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y4BiSb2S]
_chemical_formula_sum '[Y16 Bi4 Sb8 S4]'
_cell_volume [965.6088]
_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  8  0.0000  0.2704  0.1211  1
  Y  Y1  4  0.0000  0.0000  0.0000  1
  Y  Y2  4  0.0000  0.4526  0.7500  1
  Bi  Bi3  4  0.0000  0.1182  0.7500  1
  Sb  Sb4  8  0.0000  0.3674  0.5579  1
  S  S5  4  0.0000  0.1482  0.2500  1
]