data_ZrCrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.54
_cell_length_c   2.88
_cell_angle_alpha   79.26
_cell_angle_beta   75.46
_cell_angle_gamma   25.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrAu
_chemical_formula_sum   'Zr1 Cr1 Au1'
_cell_volume   51.42
_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
  Zr  Zr2  1  0.87  0.19  0.07  1.0
  Cr  Cr1  1  0.87  0.19  0.32  1.0
  Au  Au0  1  0.87  0.19  0.14  1.0

data_ZrCrAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.75
_cell_length_b   12.52
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   130.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCrAu
_chemical_formula_sum   'Zr2 Cr2 Au2'
_cell_volume   102.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.37  0.5  0.94  1.0
  Cr  Cr1  2  0.37  0.5  0.19  1.0
  Au  Au2  2  0.37  0.5  0.01  1.0

Zr Cr Au