data_Cr2MoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.42
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2MoAu
_chemical_formula_sum   'Cr2 Mo1 Au1'
_cell_volume   58.47
_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  0.3  1.0
  Cr  Cr2  1  0.49  0.71  0.35  1.0
  Mo  Mo3  1  0.0  0.0  0.61  1.0
  Au  Au0  1  0.49  0.71  0.37  1.0

data_Cr2MoAu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.42
_cell_length_b   2.98
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr2MoAu
_chemical_formula_sum   'Cr2 Mo1 Au1'
_cell_volume   58.47
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.3  1.0
  Cr  Cr1  1  0.71  0.5  0.35  1.0
  Mo  Mo2  1  0.0  0.0  0.61  1.0
  Au  Au3  1  0.71  0.5  0.37  1.0

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