data_CrNi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.73
_cell_length_c   3.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2Au
_chemical_formula_sum   'Cr1 Ni2 Au1'
_cell_volume   53.07
_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
  Ni  Ni2  1  0.86  0.0  0.92  1.0
  Ni  Ni3  1  0.86  0.86  0.0  1.0
  Au  Au0  1  0.0  0.86  0.92  1.0

data_CrNi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.73
_cell_length_c   3.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2Au
_chemical_formula_sum   'Cr1 Ni2 Au1'
_cell_volume   53.07
_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
  Ni  Ni1  1  0.86  0.0  0.92  1.0
  Ni  Ni2  1  0.86  0.86  -0.0  1.0
  Au  Au3  1  0.0  0.86  0.92  1.0

Cr Ni Ni Au