data_[Sr4Gd4Au4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Gd  1.2000  1.8000  1.0750
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4624]
_cell_length_b [4.1059]
_cell_length_c [8.4879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrGdAuSe3]
_chemical_formula_sum '[Sr4 Gd4 Au4 Se12]'
_cell_volume [630.7194]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.1266  0.0000  0.5803  1
  Gd  Gd1  4  0.1642  0.0000  0.0949  1
  Au  Au2  4  0.0458  0.5000  0.2153  1
  Se  Se3  4  0.1743  0.5000  0.8618  1
  Se  Se4  4  0.1868  0.5000  0.3445  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]