data_CrCo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.53
_cell_angle_alpha   100.32
_cell_angle_beta   100.32
_cell_angle_gamma   34.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2Au
_chemical_formula_sum   'Cr1 Co2 Au1'
_cell_volume   51.49
_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  Cr3  1  0.9  0.0  0.4  1.0
  Co  Co1  1  0.7  0.0  0.28  1.0
  Co  Co2  1  0.52  0.0  0.34  1.0
  Au  Au0  1  0.23  0.0  0.1  1.0

data_CrCo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.5
_cell_length_c   4.53
_cell_angle_alpha   100.32
_cell_angle_beta   90.0
_cell_angle_gamma   107.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2Au
_chemical_formula_sum   'Cr1 Co2 Au1'
_cell_volume   51.49
_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  0.1  0.6  1.0
  Co  Co1  1  0.0  0.3  0.72  1.0
  Co  Co2  1  0.0  0.48  0.66  1.0
  Au  Au3  1  0.0  0.77  0.9  1.0

Cr Co Co Au