data_[La4Au4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [6.5203]
_cell_length_b [7.6426]
_cell_length_c [8.1868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [LaAuSe2]
_chemical_formula_sum '[La4 Au4 Se8]'
_cell_volume [407.9697]
_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
[
  La  La0  4  0.1706  0.0367  0.7500  1.0
  Au  Au1  4  0.4965  0.7500  0.0000  1.0
  Se  Se2  4  0.0770  0.7500  0.0000  1.0
  Se  Se3  4  0.3759  0.0872  0.2500  1.0
]