data_Cr5Hg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Hg3
_chemical_formula_sum   'Cr10 Hg6'
_cell_volume   313.4
_cell_formula_units_Z   2
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  0.02  0.7  0.13  1.0
  Cr  Cr1  1  0.93  0.32  0.38  1.0
  Cr  Cr2  1  0.97  0.0  0.13  1.0
  Cr  Cr3  1  0.98  0.7  0.38  1.0
  Cr  Cr4  1  0.0  0.68  0.75  1.0
  Cr  Cr5  1  0.0  0.68  0.0  1.0
  Cr  Cr6  1  0.05  0.34  0.75  1.0
  Cr  Cr7  1  0.05  0.34  0.0  1.0
  Cr  Cr8  1  0.14  0.0  0.38  1.0
  Cr  Cr9  1  0.07  0.32  0.13  1.0
  Hg  Hg10  1  0.4  0.77  0.38  1.0
  Hg  Hg11  1  0.55  0.25  0.13  1.0
  Hg  Hg12  1  0.2  0.0  0.38  1.0
  Hg  Hg13  1  0.6  0.77  0.13  1.0
  Hg  Hg14  1  0.91  0.0  0.13  1.0
  Hg  Hg15  1  0.45  0.25  0.38  1.0

data_Cr5Hg3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.51
_cell_length_b   8.11
_cell_length_c   8.11
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Hg3
_chemical_formula_sum   'Cr10 Hg6'
_cell_volume   313.4
_cell_formula_units_Z   2
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  0.05  0.34  1.0
  Cr  Cr1  1  -0.0  0.0  0.68  1.0
  Cr  Cr2  1  0.13  0.02  0.7  1.0
  Cr  Cr3  1  0.13  0.07  0.32  1.0
  Cr  Cr4  1  0.13  0.97  0.0  1.0
  Cr  Cr5  1  0.38  0.14  0.0  1.0
  Cr  Cr6  1  0.38  0.93  0.32  1.0
  Cr  Cr7  1  0.38  0.98  0.7  1.0
  Cr  Cr8  1  0.75  0.0  0.68  1.0
  Cr  Cr9  1  0.75  0.05  0.34  1.0
  Hg  Hg10  1  0.13  0.55  0.25  1.0
  Hg  Hg11  1  0.13  0.6  0.77  1.0
  Hg  Hg12  1  0.13  0.91  0.0  1.0
  Hg  Hg13  1  0.38  0.2  0.0  1.0
  Hg  Hg14  1  0.38  0.4  0.77  1.0
  Hg  Hg15  1  0.38  0.45  0.25  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Hg Hg Hg Hg Hg Hg