data_HgGe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   6.87
_cell_angle_alpha   149.65
_cell_angle_beta   146.97
_cell_angle_gamma   45.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2P
_chemical_formula_sum   'Hg1 Ge2 P1'
_cell_volume   88.89
_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
  Hg  Hg2  1  0.8  0.0  0.68  1.0
  Ge  Ge0  1  0.8  0.0  1.0  1.0
  Ge  Ge1  1  0.0  0.0  0.59  1.0
  P  P3  1  0.0  0.0  0.72  1.0

data_HgGe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.9
_cell_length_c   6.87
_cell_angle_alpha   106.51
_cell_angle_beta   105.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2P
_chemical_formula_sum   'Hg1 Ge2 P1'
_cell_volume   88.89
_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
  Hg  Hg0  1  0.0  0.68  0.89  1.0
  Ge  Ge1  1  0.0  0.59  0.59  1.0
  Ge  Ge2  1  0.0  1.0  0.2  1.0
  P  P3  1  0.0  0.72  0.72  1.0

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