data_Cu2HgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   134.1
_cell_angle_beta   134.1
_cell_angle_gamma   66.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgGe
_chemical_formula_sum   'Cu2 Hg1 Ge1'
_cell_volume   64.6
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.96  0.0  0.1  1.0
  Hg  Hg3  1  0.0  0.96  0.1  1.0
  Ge  Ge2  1  0.0  0.0  0.2  1.0

data_Cu2HgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.03
_cell_angle_alpha   112.95
_cell_angle_beta   112.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgGe
_chemical_formula_sum   'Cu2 Hg1 Ge1'
_cell_volume   64.6
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.9  0.0  0.86  1.0
  Hg  Hg2  1  0.86  0.96  0.86  1.0
  Ge  Ge3  1  0.8  0.0  0.8  1.0

Cu Cu Hg Ge