data_MgFeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   4.09
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   98.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFeGe2
_chemical_formula_sum   'Mg1 Fe1 Ge2'
_cell_volume   64.61
_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  Mg3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.19  0.0  0.54  1.0
  Ge  Ge1  1  0.74  0.04  0.73  1.0
  Ge  Ge2  1  0.64  0.04  0.34  1.0

data_MgFeGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.09
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   98.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFeGe2
_chemical_formula_sum   'Mg1 Fe1 Ge2'
_cell_volume   64.61
_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
  Fe  Fe1  1  0.19  0.0  0.54  1.0
  Ge  Ge2  1  0.64  0.04  0.34  1.0
  Ge  Ge3  1  0.74  0.04  0.73  1.0

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