data_[Co2Au2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9171]
_cell_length_b [3.2040]
_cell_length_c [6.0146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoAuSe2]
_chemical_formula_sum '[Co2 Au2 Se4]'
_cell_volume [188.4164]
_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
[
  Co  Co0  2  0.2117  0.5000  0.3710  1
  Au  Au1  2  0.4324  0.0000  0.3520  1
  Se  Se2  2  0.0855  0.0000  0.1287  1
  Se  Se3  2  0.2703  0.0000  0.6483  1
]