data_Sn2GeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   143.11
_cell_angle_beta   126.7
_cell_angle_gamma   66.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeMo
_chemical_formula_sum   'Sn2 Ge1 Mo1'
_cell_volume   81.66
_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
  Sn  Sn2  1  0.0  0.0  0.2  1.0
  Sn  Sn3  1  0.76  0.0  0.45  1.0
  Ge  Ge0  1  0.0  0.0  0.83  1.0
  Mo  Mo1  1  0.0  0.49  0.12  1.0

data_Sn2GeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.99
_cell_length_c   5.56
_cell_angle_alpha   116.65
_cell_angle_beta   108.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeMo
_chemical_formula_sum   'Sn2 Ge1 Mo1'
_cell_volume   81.66
_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
  Sn  Sn0  1  0.0  0.2  0.2  1.0
  Sn  Sn1  1  0.0  0.45  0.69  1.0
  Ge  Ge2  1  0.0  0.83  0.83  1.0
  Mo  Mo3  1  0.51  0.63  0.63  1.0

Sn Sn Ge Mo