data_CrOs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.74
_cell_angle_alpha   101.54
_cell_angle_beta   101.54
_cell_angle_gamma   33.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOs2Au
_chemical_formula_sum   'Cr1 Os2 Au1'
_cell_volume   58.55
_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  0.7  0.0  0.61  1.0
  Os  Os3  1  0.5  0.0  0.03  1.0
  Au  Au0  1  0.1  0.0  0.32  1.0

data_CrOs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.74
_cell_length_c   4.8
_cell_angle_alpha   101.54
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOs2Au
_chemical_formula_sum   'Cr1 Os2 Au1'
_cell_volume   58.55
_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  0.0  0.03  0.5  1.0
  Os  Os2  1  0.0  0.61  0.7  1.0
  Au  Au3  1  0.0  0.32  0.1  1.0

Cr Os Os Au
Cr Os Os Au 0 3 o o o 0 1 - o - 0 2 o o o 0 2 - o o 1 2 o o o 1 2 o o + 1 1 + - o 1 3 + o o 2 3 o o o 2 3 + o o 2 2 + - o 