data_CoB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   128.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2Au
_chemical_formula_sum   'Co1 B2 Au1'
_cell_volume   47.27
_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  Co3  1  0.0  0.0  0.0  1.0
  B  B1  1  0.3  0.0  0.25  1.0
  B  B2  1  0.3  0.0  0.48  1.0
  Au  Au0  1  0.0  0.0  0.36  1.0

data_CoB2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   3.0
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2Au
_chemical_formula_sum   'Co1 B2 Au1'
_cell_volume   47.27
_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
  B  B1  1  0.0  0.3  0.25  1.0
  B  B2  1  0.0  0.3  0.48  1.0
  Au  Au3  1  0.0  0.0  0.36  1.0

Co B B Au