data_[La10Au2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0691]
_cell_length_b [4.1799]
_cell_length_c [10.3618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5AuS4]
_chemical_formula_sum '[La10 Au2 S8]'
_cell_volume [528.5386]
_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
[
  La  La0  4  0.1074  0.5000  0.8944  1
  La  La1  4  0.2040  0.0000  0.3102  1
  La  La2  2  0.0000  0.0000  0.5000  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
  S  S4  4  0.0974  0.5000  0.3993  1
  S  S5  4  0.2030  0.0000  0.7954  1
]