data_MgGe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   137.45
_cell_angle_beta   137.45
_cell_angle_gamma   61.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGe2Mo
_chemical_formula_sum   'Mg1 Ge2 Mo1'
_cell_volume   66.29
_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  Mg2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.53  1.0
  Ge  Ge1  1  0.0  0.91  0.26  1.0
  Mo  Mo3  1  0.91  0.0  0.26  1.0

data_MgGe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   5.27
_cell_angle_alpha   111.28
_cell_angle_beta   111.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGe2Mo
_chemical_formula_sum   'Mg1 Ge2 Mo1'
_cell_volume   66.29
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.47  0.0  0.47  1.0
  Ge  Ge2  1  0.65  0.91  0.65  1.0
  Mo  Mo3  1  0.74  0.0  0.65  1.0

Mg Ge Ge Mo