data_CrOs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.52
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   93.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOs2Au
_chemical_formula_sum   'Cr1 Os2 Au1'
_cell_volume   60.41
_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
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  1.0  0.26  0.12  1.0
  Os  Os3  1  0.38  0.26  0.84  1.0
  Au  Au0  1  0.19  0.0  0.48  1.0

data_CrOs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.52
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   93.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOs2Au
_chemical_formula_sum   'Cr1 Os2 Au1'
_cell_volume   60.41
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.38  0.26  0.84  1.0
  Os  Os2  1  1.0  0.26  0.12  1.0
  Au  Au3  1  0.19  0.0  0.48  1.0

Cr Os Os Au