data_MgGe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   4.32
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   93.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGe2Ru
_chemical_formula_sum   'Mg1 Ge2 Ru1'
_cell_volume   67.77
_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  0.03  0.16  0.74  1.0
  Ge  Ge1  1  0.78  0.16  0.28  1.0
  Ru  Ru3  1  0.4  0.0  0.51  1.0

data_MgGe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.32
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   93.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGe2Ru
_chemical_formula_sum   'Mg1 Ge2 Ru1'
_cell_volume   67.77
_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  0.03  0.16  0.74  1.0
  Ge  Ge2  1  0.78  0.16  0.28  1.0
  Ru  Ru3  1  0.4  0.0  0.51  1.0

Mg Ge Ge Ru
Mg Ge Ge Ru 0 2 - o o 0 1 o o - 1 3 o o o 2 3 o o o 