data_Cr2ReHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2ReHg
_chemical_formula_sum   'Cr2 Re1 Hg1'
_cell_volume   60.0
_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  0.51  0.0  0.74  1.0
  Cr  Cr1  1  0.0  0.0  0.98  1.0
  Re  Re3  1  0.0  0.0  0.92  1.0
  Hg  Hg2  1  0.51  0.0  0.54  1.0

data_Cr2ReHg
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.7
_cell_length_b   8.87
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   111.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Cr2ReHg
_chemical_formula_sum   'Cr2 Re1 Hg1'
_cell_volume   60.0
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.02  0.0  1.0
  Cr  Cr1  1  0.5  0.26  0.0  1.0
  Re  Re2  1  0.0  0.08  0.0  1.0
  Hg  Hg3  1  0.5  0.46  0.0  1.0

Cr Cr Re Hg