data_[Ca2Y2Au2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5743]
_cell_length_b [3.9108]
_cell_length_c [9.3442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaYAuS3]
_chemical_formula_sum '[Ca2 Y2 Au2 S6]'
_cell_volume [267.5875]
_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
[
  Ca  Ca0  2  0.2422  0.2500  0.2785  1
  Y  Y1  2  0.3121  0.7500  0.8339  1
  Au  Au2  2  0.1293  0.2500  0.5762  1
  S  S3  2  0.0548  0.2500  0.8275  1
  S  S4  2  0.3199  0.7500  0.5312  1
  S  S5  2  0.4210  0.7500  0.1380  1
]