data_[Y12In4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.7516]
_cell_length_b [13.4563]
_cell_length_c [6.6250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y3InS6]
_chemical_formula_sum '[Y12 In4 S24]'
_cell_volume [958.4929]
_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  0.1866  0.0988  0.9823  1.0
  Y  Y1  4  0.0000  0.4042  0.8944  1.0
  In  In2  4  0.0000  0.2013  0.5083  1.0
  S  S3  8  0.1625  0.4694  0.1865  1.0
  S  S4  8  0.1724  0.2721  0.7136  1.0
  S  S5  4  0.0000  0.0332  0.6778  1.0
  S  S6  4  0.0000  0.2195  0.1401  1.0
]