data_[Y12Ga4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.7135]
_cell_length_b [13.3562]
_cell_length_c [6.4833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y3GaS6]
_chemical_formula_sum '[Y12 Ga4 S24]'
_cell_volume [927.7126]
_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  0.1850  0.0995  0.7255  1.0
  Y  Y1  4  0.0000  0.4017  0.6372  1.0
  Ga  Ga2  4  0.0000  0.2002  0.2626  1.0
  S  S3  8  0.1624  0.4707  0.9305  1.0
  S  S4  8  0.1655  0.2667  0.4419  1.0
  S  S5  4  0.0000  0.0401  0.4079  1.0
  S  S6  4  0.0000  0.2169  0.9118  1.0
]