data_Hg2GeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   10.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2GeP
_chemical_formula_sum   'Hg2 Ge1 P1'
_cell_volume   98.27
_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  Hg1  1  0.0  0.0  0.18  1.0
  Hg  Hg2  1  0.82  0.0  0.72  1.0
  Ge  Ge0  1  0.82  0.0  0.22  1.0
  P  P3  1  0.0  0.0  0.83  1.0

data_Hg2GeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   10.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2GeP
_chemical_formula_sum   'Hg2 Ge1 P1'
_cell_volume   98.27
_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  0.0  0.18  1.0
  Hg  Hg1  1  0.82  0.0  0.72  1.0
  Ge  Ge2  1  0.82  0.0  0.22  1.0
  P  P3  1  0.0  0.0  0.83  1.0

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