data_Cr2CuHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   9.18
_cell_angle_alpha   16.99
_cell_angle_beta   16.99
_cell_angle_gamma   16.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuHg
_chemical_formula_sum   'Cr2 Cu1 Hg1'
_cell_volume   57.68
_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  0.18  1.0
  Cr  Cr1  1  0.0  0.0  0.97  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.57  1.0

data_Cr2CuHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   2.71
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   99.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2CuHg
_chemical_formula_sum   'Cr4 Cu2 Hg2'
_cell_volume   115.37
_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
  Cr  Cr0  2  0.0  0.0  0.03  1.0
  Cr  Cr1  2  0.0  0.0  0.82  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  Hg  Hg3  2  0.0  0.0  0.43  1.0

Cr Cr Cu Hg