data_Mn2FeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   133.16
_cell_angle_beta   133.16
_cell_angle_gamma   68.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeGe
_chemical_formula_sum   'Mn2 Fe1 Ge1'
_cell_volume   48.92
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.0  0.8  0.88  1.0
  Fe  Fe0  1  0.0  0.0  0.76  1.0
  Ge  Ge1  1  0.8  0.0  0.88  1.0

data_Mn2FeGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   4.54
_cell_angle_alpha   113.42
_cell_angle_beta   113.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeGe
_chemical_formula_sum   'Mn2 Fe1 Ge1'
_cell_volume   48.92
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.07  0.88  0.07  1.0
  Fe  Fe2  1  0.76  0.76  0.76  1.0
  Ge  Ge3  1  0.88  0.07  0.07  1.0

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