data_[Y12Ge4Sb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8017]
_cell_length_b [4.1007]
_cell_length_c [8.2096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Ge2SbS3]
_chemical_formula_sum '[Y12 Ge4 Sb2 S6]'
_cell_volume [584.7074]
_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  4  0.0023  0.0000  0.2665  1.0
  Y  Y1  4  0.1681  0.5000  0.5826  1.0
  Y  Y2  4  0.1724  0.5000  0.0922  1.0
  Ge  Ge3  4  0.1668  0.0000  0.3342  1.0
  Sb  Sb4  2  0.0000  0.5000  0.0000  1.0
  S  S5  4  0.1653  0.0000  0.8337  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]