data_CrRe2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.73
_cell_angle_alpha   103.25
_cell_angle_beta   103.25
_cell_angle_gamma   33.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Hg
_chemical_formula_sum   'Cr1 Re2 Hg1'
_cell_volume   62.28
_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
  Re  Re2  1  0.69  0.0  0.01  1.0
  Re  Re3  1  0.68  0.0  0.58  1.0
  Hg  Hg1  1  0.18  0.0  0.3  1.0

data_CrRe2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.73
_cell_length_c   4.96
_cell_angle_alpha   103.25
_cell_angle_beta   106.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Hg
_chemical_formula_sum   'Cr1 Re2 Hg1'
_cell_volume   62.28
_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
  Re  Re1  1  0.0  0.01  0.69  1.0
  Re  Re2  1  0.0  0.58  0.68  1.0
  Hg  Hg3  1  0.0  0.3  0.18  1.0

Cr Re Re Hg