data_MnGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   116.33
_cell_angle_beta   116.33
_cell_angle_gamma   116.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe3
_chemical_formula_sum   'Mn1 Ge3'
_cell_volume   69.68
_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  Mn3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.57  0.02  1.0
  Ge  Ge1  1  0.23  0.72  0.02  1.0
  Ge  Ge2  1  0.77  0.72  0.02  1.0

data_MnGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   116.33
_cell_angle_beta   101.18
_cell_angle_gamma   101.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe3
_chemical_formula_sum   'Mn1 Ge3'
_cell_volume   69.68
_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
  Ge  Ge1  1  0.02  0.02  0.45  1.0
  Ge  Ge2  1  0.02  0.24  0.3  1.0
  Ge  Ge3  1  0.02  0.79  0.3  1.0

Mn Ge Ge Ge