data_Cd2HgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   5.79
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgAs
_chemical_formula_sum   'Cd2 Hg1 As1'
_cell_volume   96.18
_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
  Cd  Cd1  1  0.22  0.89  0.51  1.0
  Cd  Cd2  1  0.92  0.0  0.55  1.0
  Hg  Hg3  1  0.53  0.89  0.09  1.0
  As  As0  1  0.88  0.0  1.0  1.0

data_Cd2HgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.86
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgAs
_chemical_formula_sum   'Cd2 Hg1 As1'
_cell_volume   96.18
_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
  Cd  Cd0  1  0.08  0.45  0.0  1.0
  Cd  Cd1  1  0.78  0.49  0.11  1.0
  Hg  Hg2  1  0.47  0.91  0.11  1.0
  As  As3  1  0.12  0.0  0.0  1.0

Cd Cd Hg As