data_SnGeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   4.72
_cell_angle_alpha   106.46
_cell_angle_beta   106.46
_cell_angle_gamma   36.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeMo2
_chemical_formula_sum   'Sn1 Ge1 Mo2'
_cell_volume   68.76
_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  Sn3  1  0.09  0.0  0.46  1.0
  Ge  Ge0  1  0.82  0.0  0.85  1.0
  Mo  Mo1  1  0.51  0.0  0.22  1.0
  Mo  Mo2  1  0.47  0.0  0.22  1.0

data_SnGeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.72
_cell_length_c   5.06
_cell_angle_alpha   106.46
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeMo2
_chemical_formula_sum   'Sn1 Ge1 Mo2'
_cell_volume   68.76
_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  0.46  0.09  1.0
  Ge  Ge1  1  0.0  0.85  0.82  1.0
  Mo  Mo2  1  0.0  0.22  0.51  1.0
  Mo  Mo3  1  0.0  0.22  0.47  1.0

Sn Ge Mo Mo
Sn Ge Mo Mo 0 3 - o o 0 3 o o o 0 2 - o o 0 2 o o o 0 1 - o - 0 1 - o o 0 0 + - o 1 3 o o o 1 3 o o + 1 3 + o + 1 2 o o o 1 2 o o + 1 1 + - o 2 3 o o o 