data_[Sb2Au2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.7953]
_cell_length_b [6.1406]
_cell_length_c [6.2586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [SbAuSe]
_chemical_formula_sum '[Sb2 Au2 Se2]'
_cell_volume [167.4182]
_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
[
  Sb  Sb0  2  0.7024  0.3564  0.9782  1.0
  Au  Au1  2  0.9332  0.2516  0.6658  1.0
  Se  Se2  2  0.1027  0.1396  0.3379  1.0
]