data_CrHg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   144.62
_cell_angle_beta   129.03
_cell_angle_gamma   63.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHg2Au
_chemical_formula_sum   'Cr1 Hg2 Au1'
_cell_volume   81.05
_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
  Hg  Hg2  1  0.0  0.44  0.41  1.0
  Hg  Hg3  1  0.72  0.0  0.41  1.0
  Au  Au0  1  0.0  0.0  0.82  1.0

data_CrHg2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.88
_cell_length_c   5.67
_cell_angle_alpha   115.49
_cell_angle_beta   107.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHg2Au
_chemical_formula_sum   'Cr1 Hg2 Au1'
_cell_volume   81.05
_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
  Hg  Hg1  1  0.32  0.59  0.32  1.0
  Hg  Hg2  1  0.59  0.03  0.03  1.0
  Au  Au3  1  0.18  0.18  0.18  1.0

Cr Hg Hg Au