data_Mn3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   4.19
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   94.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Ge
_chemical_formula_sum   'Mn3 Ge1'
_cell_volume   49.31
_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  Mn1  1  0.82  0.1  0.08  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.39  0.1  0.43  1.0
  Ge  Ge0  1  0.11  0.0  0.25  1.0

data_Mn3Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.19
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   94.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Ge
_chemical_formula_sum   'Mn3 Ge1'
_cell_volume   49.31
_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  0.39  0.1  0.43  1.0
  Mn  Mn2  1  0.82  0.1  0.08  1.0
  Ge  Ge3  1  0.11  0.0  0.25  1.0

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