data_Zn2HgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   34.06
_cell_angle_beta   34.06
_cell_angle_gamma   34.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2HgP
_chemical_formula_sum   'Zn2 Hg1 P1'
_cell_volume   78.29
_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
  Zn  Zn2  1  0.0  0.0  0.03  1.0
  Zn  Zn3  1  0.0  0.0  0.44  1.0
  Hg  Hg0  1  0.0  0.0  0.23  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Zn2HgP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.64
_cell_length_b   3.83
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   109.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2HgP
_chemical_formula_sum   'Zn4 Hg2 P2'
_cell_volume   156.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zn  Zn0  2  -0.0  0.0  0.56  1.0
  Zn  Zn1  2  0.0  0.0  0.97  1.0
  Hg  Hg2  2  0.0  0.0  0.77  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Zn Zn Hg P
Zn Zn Hg P 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 