data_Cd2HgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   7.07
_cell_angle_alpha   150.51
_cell_angle_beta   147.58
_cell_angle_gamma   44.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgP
_chemical_formula_sum   'Cd2 Hg1 P1'
_cell_volume   93.09
_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  0.0  0.97  0.75  1.0
  Cd  Cd1  1  0.0  0.0  0.06  1.0
  Hg  Hg2  1  0.0  0.97  0.66  1.0
  P  P3  1  0.0  0.0  0.17  1.0

data_Cd2HgP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.95
_cell_length_c   7.07
_cell_angle_alpha   106.21
_cell_angle_beta   104.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgP
_chemical_formula_sum   'Cd2 Hg1 P1'
_cell_volume   93.09
_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  0.25  0.23  0.23  1.0
  Cd  Cd1  1  0.94  0.94  0.94  1.0
  Hg  Hg2  1  0.34  0.31  0.31  1.0
  P  P3  1  0.83  0.83  0.83  1.0

Cd Cd Hg P
Cd Cd Hg P 0 2 o o o 1 3 o o o 