data_Zn2HgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   6.4
_cell_angle_alpha   106.01
_cell_angle_beta   106.01
_cell_angle_gamma   58.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2HgP
_chemical_formula_sum   'Zn2 Hg1 P1'
_cell_volume   77.14
_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  0.19  0.0  0.94  1.0
  Zn  Zn3  1  0.53  0.0  0.13  1.0
  Hg  Hg0  1  0.36  0.0  0.03  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Zn2HgP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.86
_cell_length_c   6.4
_cell_angle_alpha   106.01
_cell_angle_beta   90.0
_cell_angle_gamma   119.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2HgP
_chemical_formula_sum   'Zn2 Hg1 P1'
_cell_volume   77.14
_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  Zn0  1  0.0  0.47  0.87  1.0
  Zn  Zn1  1  0.0  0.81  0.06  1.0
  Hg  Hg2  1  0.0  0.64  0.97  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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