data_HgGeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   144.87
_cell_angle_beta   137.25
_cell_angle_gamma   56.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGeAs2
_chemical_formula_sum   'Hg1 Ge1 As2'
_cell_volume   85.02
_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  Hg3  1  0.0  0.0  0.31  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.82  0.0  0.25  1.0
  As  As1  1  0.0  0.2  0.06  1.0

data_HgGeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.4
_cell_length_c   6.03
_cell_angle_alpha   111.37
_cell_angle_beta   107.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGeAs2
_chemical_formula_sum   'Hg1 Ge1 As2'
_cell_volume   85.02
_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  0.31  0.31  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.25  0.43  1.0
  As  As3  1  0.8  0.86  0.86  1.0

Hg Ge As As