data_CrMo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.04
_cell_angle_alpha   96.28
_cell_angle_beta   96.28
_cell_angle_gamma   31.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMo2Au
_chemical_formula_sum   'Cr1 Mo2 Au1'
_cell_volume   61.43
_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  0.85  0.0  0.75  1.0
  Mo  Mo2  1  0.68  0.0  0.97  1.0
  Mo  Mo3  1  0.85  0.0  0.25  1.0
  Au  Au0  1  0.37  0.0  0.53  1.0

data_CrMo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.82
_cell_length_c   5.04
_cell_angle_alpha   96.28
_cell_angle_beta   90.0
_cell_angle_gamma   105.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMo2Au
_chemical_formula_sum   'Cr1 Mo2 Au1'
_cell_volume   61.43
_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  0.15  0.25  1.0
  Mo  Mo1  1  0.0  0.15  0.75  1.0
  Mo  Mo2  1  0.0  0.32  0.03  1.0
  Au  Au3  1  0.0  0.63  0.47  1.0

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