data_MgMnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.91
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnGe2
_chemical_formula_sum   'Mg1 Mn1 Ge2'
_cell_volume   68.64
_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  0.64  1.0
  Mn  Mn3  1  0.62  0.96  0.21  1.0
  Ge  Ge0  1  0.0  0.0  0.27  1.0
  Ge  Ge1  1  0.62  0.96  0.43  1.0

data_MgMnGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.91
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnGe2
_chemical_formula_sum   'Mg1 Mn1 Ge2'
_cell_volume   68.64
_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  0.64  1.0
  Mn  Mn1  1  0.62  0.96  0.21  1.0
  Ge  Ge2  1  0.0  0.0  0.27  1.0
  Ge  Ge3  1  0.62  0.96  0.43  1.0

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