data_Hg2GeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   7.49
_cell_angle_alpha   91.94
_cell_angle_beta   91.94
_cell_angle_gamma   44.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2GeAs
_chemical_formula_sum   'Hg2 Ge1 As1'
_cell_volume   99.66
_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  0.02  0.0  0.09  1.0
  Hg  Hg3  1  0.81  0.0  0.55  1.0
  Ge  Ge1  1  0.24  0.0  0.12  1.0
  As  As0  1  0.67  0.0  0.47  1.0

data_Hg2GeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.37
_cell_length_c   7.49
_cell_angle_alpha   91.94
_cell_angle_beta   90.0
_cell_angle_gamma   112.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2GeAs
_chemical_formula_sum   'Hg2 Ge1 As1'
_cell_volume   99.66
_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  0.19  0.45  1.0
  Hg  Hg1  1  0.0  0.98  0.91  1.0
  Ge  Ge2  1  0.0  0.76  0.88  1.0
  As  As3  1  0.0  0.33  0.53  1.0

Hg Hg Ge As