data_CoAu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   3.0
_cell_angle_alpha   105.02
_cell_angle_beta   105.02
_cell_angle_gamma   123.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAu2Se
_chemical_formula_sum   'Co1 Au2 Se1'
_cell_volume   69.78
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.54  0.55  0.25  1.0
  Au  Au1  1  0.54  0.45  0.25  1.0
  Se  Se3  1  0.73  0.0  0.0  1.0

data_CoAu2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.55
_cell_length_c   5.79
_cell_angle_alpha   113.14
_cell_angle_beta   105.01
_cell_angle_gamma   90.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAu2Se
_chemical_formula_sum   'Co1 Au2 Se1'
_cell_volume   69.78
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.19  0.46  0.91  1.0
  Au  Au2  1  0.3  0.46  0.02  1.0
  Se  Se3  1  0.0  0.27  0.27  1.0

Co Au Au Se