data_MnHgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHgGe2
_chemical_formula_sum   'Mn1 Hg1 Ge2'
_cell_volume   75.07
_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
  Mn  Mn3  1  0.0  0.0  0.91  1.0
  Hg  Hg2  1  0.07  0.0  0.96  1.0
  Ge  Ge0  1  0.07  0.0  0.27  1.0
  Ge  Ge1  1  0.0  0.0  0.43  1.0

data_MnHgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHgGe2
_chemical_formula_sum   'Mn1 Hg1 Ge2'
_cell_volume   75.07
_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
  Mn  Mn0  1  0.0  0.0  0.91  1.0
  Hg  Hg1  1  0.07  0.0  0.96  1.0
  Ge  Ge2  1  0.0  0.0  0.43  1.0
  Ge  Ge3  1  0.07  0.0  0.27  1.0

Mn Hg Ge Ge
Mn Hg Ge Ge 0 1 o o o 2 3 o o o 