data_[Cr2Au2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2756]
_cell_length_b [6.3936]
_cell_length_c [18.6818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [102.2130]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrAuSe2]
_chemical_formula_sum '[Cr2 Au2 Se4]'
_cell_volume [499.1370]
_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
[
  Cr  Cr0  2  0.3804  0.2089  0.4884  1
  Au  Au1  2  0.0874  0.7323  0.4179  1
  Se  Se2  2  0.1544  0.9116  0.5787  1
  Se  Se3  2  0.4985  0.4813  0.5985  1
]