data_[Y24As12C3S9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9944]
_cell_length_b [7.9944]
_cell_length_c [19.4874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y8As4CS3]
_chemical_formula_sum '[Y24 As12 C3 S9]'
_cell_volume [1078.5857]
_cell_formula_units_Z [3]
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  18  0.0204  0.5102  0.7447  1.0
  Y  Y1  6  0.0000  0.0000  0.2502  1.0
  As  As2  9  0.0000  0.5000  0.5000  1.0
  As  As3  3  -0.0000  -0.0000  0.5000  1.0
  C  C4  3  0.0000  0.0000  0.0000  1.0
  S  S5  9  0.0000  0.5000  0.0000  1.0
]