data_GeMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.21
_cell_angle_alpha   99.59
_cell_angle_beta   99.59
_cell_angle_gamma   34.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMo2Pb
_chemical_formula_sum   'Ge1 Mo2 Pb1'
_cell_volume   76.62
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.8  0.0  0.87  1.0
  Mo  Mo2  1  0.17  0.0  0.26  1.0
  Pb  Pb3  1  0.48  0.0  0.56  1.0

data_GeMo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.16
_cell_length_c   5.21
_cell_angle_alpha   99.59
_cell_angle_beta   90.0
_cell_angle_gamma   107.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMo2Pb
_chemical_formula_sum   'Ge1 Mo2 Pb1'
_cell_volume   76.62
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.2  0.13  1.0
  Mo  Mo2  1  0.0  0.83  0.74  1.0
  Pb  Pb3  1  0.0  0.52  0.44  1.0

Ge Mo Mo Pb
Ge Mo Mo Pb 0 1 - o - 0 2 o o o 1 3 o o o 2 3 o o o 