data_[Y12Sb6As2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2499]
_cell_length_b [12.5644]
_cell_length_c [7.2937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Sb3AsS2]
_chemical_formula_sum '[Y12 Sb6 As2 S4]'
_cell_volume [626.9842]
_cell_formula_units_Z [2]
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  0.2438  0.1670  0.2311  1
  Y  Y1  4  0.2421  0.5000  0.2294  1
  Sb  Sb2  4  0.0000  0.1660  0.5000  1
  Sb  Sb3  2  0.0000  0.5000  0.5000  1
  As  As4  2  0.0000  0.0000  0.0000  1
  S  S5  4  0.0000  0.3334  0.0000  1
]