data_LaHgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.34
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgGe2
_chemical_formula_sum   'La1 Hg1 Ge2'
_cell_volume   105.82
_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
  La  La3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.01  0.0  0.98  1.0
  Ge  Ge0  1  0.11  0.17  0.25  1.0
  Ge  Ge1  1  0.9  0.17  0.7  1.0

data_LaHgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.34
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgGe2
_chemical_formula_sum   'La1 Hg1 Ge2'
_cell_volume   105.82
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.01  0.0  0.98  1.0
  Ge  Ge2  1  0.11  0.17  0.25  1.0
  Ge  Ge3  1  0.9  0.17  0.7  1.0

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