data_MgGeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   141.45
_cell_angle_beta   128.69
_cell_angle_gamma   65.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGeMo2
_chemical_formula_sum   'Mg1 Ge1 Mo2'
_cell_volume   64.98
_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
  Mg  Mg1  1  0.0  0.0  0.47  1.0
  Ge  Ge0  1  0.7  0.0  0.23  1.0
  Mo  Mo2  1  0.7  0.0  0.14  1.0
  Mo  Mo3  1  0.0  0.0  0.09  1.0

data_MgGeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.45
_cell_length_c   5.14
_cell_angle_alpha   115.66
_cell_angle_beta   109.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGeMo2
_chemical_formula_sum   'Mg1 Ge1 Mo2'
_cell_volume   64.98
_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
  Mg  Mg0  1  0.0  0.47  0.47  1.0
  Ge  Ge1  1  0.0  0.23  0.53  1.0
  Mo  Mo2  1  0.0  0.09  0.09  1.0
  Mo  Mo3  1  0.0  0.14  0.44  1.0

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