data_Cu2ReHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   28.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2ReHg
_chemical_formula_sum   'Cu2 Re1 Hg1'
_cell_volume   59.63
_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
  Cu  Cu0  1  0.14  0.0  0.87  1.0
  Cu  Cu1  1  0.0  0.0  0.23  1.0
  Re  Re3  1  0.0  0.0  0.1  1.0
  Hg  Hg2  1  0.14  0.0  0.65  1.0

data_Cu2ReHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.27
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   104.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2ReHg
_chemical_formula_sum   'Cu2 Re1 Hg1'
_cell_volume   59.63
_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
  Cu  Cu0  1  0.13  0.14  0.13  1.0
  Cu  Cu1  1  0.77  0.0  0.77  1.0
  Re  Re2  1  0.9  0.0  0.9  1.0
  Hg  Hg3  1  0.35  0.14  0.35  1.0

Cu Cu Re Hg