data_Cd2HgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   134.91
_cell_angle_beta   134.91
_cell_angle_gamma   65.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgAs
_chemical_formula_sum   'Cd2 Hg1 As1'
_cell_volume   89.63
_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
  Cd  Cd1  1  0.17  0.0  0.38  1.0
  Cd  Cd2  1  0.0  0.0  0.76  1.0
  Hg  Hg3  1  0.0  0.17  0.38  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Cd2HgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.66
_cell_angle_alpha   112.54
_cell_angle_beta   112.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgAs
_chemical_formula_sum   'Cd2 Hg1 As1'
_cell_volume   89.63
_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
  Cd  Cd0  1  0.38  0.21  0.21  1.0
  Cd  Cd1  1  0.76  0.76  0.76  1.0
  Hg  Hg2  1  0.21  0.38  0.21  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Cd Cd Hg As