data_BaHgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   142.21
_cell_angle_beta   131.57
_cell_angle_gamma   63.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHgGe
_chemical_formula_sum   'Ba1 Hg1 Ge1'
_cell_volume   94.19
_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
  Ba  Ba0  1  0.0  0.0  0.04  1.0
  Hg  Hg2  1  0.0  0.0  0.34  1.0
  Ge  Ge1  1  0.0  0.0  0.72  1.0

data_BaHgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.86
_cell_length_c   5.92
_cell_angle_alpha   114.21
_cell_angle_beta   108.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHgGe
_chemical_formula_sum   'Ba1 Hg1 Ge1'
_cell_volume   94.19
_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
  Ba  Ba0  1  0.0  0.04  0.04  1.0
  Hg  Hg1  1  0.0  0.34  0.34  1.0
  Ge  Ge2  1  0.0  0.72  0.72  1.0

Ba Hg Ge
Ba Hg Ge 0 2 o o - 0 1 o o o 1 2 o o o 