data_[La2Au2S4]
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 [P1]
_cell_length_a [4.0738]
_cell_length_b [7.1211]
_cell_length_c [7.1846]
_cell_angle_alpha [76.8583]
_cell_angle_beta [74.6474]
_cell_angle_gamma [86.6886]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaAuS2]
_chemical_formula_sum '[La2 Au2 S4]'
_cell_volume [195.7213]
_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  1  0.3508  0.7892  0.7781  1.0
  La  La1  1  0.5530  0.4035  0.3825  1.0
  Au  Au2  1  0.0434  0.2622  0.8201  1.0
  Au  Au3  1  0.4416  0.0655  0.0987  1.0
  S  S4  1  0.2034  0.3809  0.0735  1.0
  S  S5  1  0.7019  0.7671  0.0806  1.0
  S  S6  1  0.9513  0.6140  0.5601  1.0
  S  S7  1  0.9941  0.1001  0.5733  1.0
]