data_MnGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe3
_chemical_formula_sum   'Mn2 Ge6'
_cell_volume   140.19
_cell_formula_units_Z   2
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  Mn6  1  0.83  0.64  0.78  1.0
  Mn  Mn7  1  0.0  0.27  0.26  1.0
  Ge  Ge0  1  0.39  0.07  0.78  1.0
  Ge  Ge1  1  0.61  0.07  0.78  1.0
  Ge  Ge2  1  0.0  0.67  0.78  1.0
  Ge  Ge3  1  0.44  0.83  0.26  1.0
  Ge  Ge4  1  0.22  0.83  0.26  1.0
  Ge  Ge5  1  0.83  0.24  0.26  1.0

data_MnGe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.05
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnGe3
_chemical_formula_sum   'Mn2 Ge6'
_cell_volume   140.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.24  0.58  0.82  1.0
  Ge  Ge1  2  0.24  0.03  0.38  1.0
  Ge  Ge2  2  0.24  0.42  0.79  1.0
  Ge  Ge3  2  0.24  0.8  0.38  1.0

Mn Mn Ge Ge Ge Ge Ge Ge