data_[Au3Se2Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.6785]
_cell_length_b [18.5321]
_cell_length_c [8.0140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Au3Se2Cl]
_chemical_formula_sum '[Au3 Se2 Cl1]'
_cell_volume [541.5321]
_cell_formula_units_Z [1]
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
[
  Au  Au0  2  0.9078  0.0751  0.0462  1
  Au  Au1  1  0.4951  0.0000  0.3574  1
  Se  Se2  2  0.9925  0.0953  0.3474  1
  Cl  Cl3  1  0.8375  0.0000  0.7930  1
]