data_CoOs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.61
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   92.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoOs2Au
_chemical_formula_sum   'Co1 Os2 Au1'
_cell_volume   59.13
_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  Co1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.04  0.31  0.1  1.0
  Os  Os3  1  0.42  0.31  0.64  1.0
  Au  Au0  1  0.23  0.0  0.37  1.0

data_CoOs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.61
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   92.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoOs2Au
_chemical_formula_sum   'Co1 Os2 Au1'
_cell_volume   59.13
_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
  Os  Os1  1  0.04  0.31  0.1  1.0
  Os  Os2  1  0.42  0.31  0.64  1.0
  Au  Au3  1  0.23  0.0  0.37  1.0

Co Os Os Au
Co Os Os Au 0 1 o o o 0 2 o o - 0 2 - o - 0 3 o o o 1 2 o o - 1 3 o o o 2 3 o o o 