data_Sr2MnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   144.28
_cell_angle_beta   135.16
_cell_angle_gamma   58.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MnGe
_chemical_formula_sum   'Sr2 Mn1 Ge1'
_cell_volume   113.44
_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
  Sr  Sr2  1  0.0  0.49  0.08  1.0
  Sr  Sr3  1  0.0  0.0  0.6  1.0
  Mn  Mn1  1  0.0  0.0  0.45  1.0
  Ge  Ge0  1  0.0  0.49  0.95  1.0

data_Sr2MnGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.98
_cell_length_c   6.53
_cell_angle_alpha   112.42
_cell_angle_beta   107.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MnGe
_chemical_formula_sum   'Sr2 Mn1 Ge1'
_cell_volume   113.44
_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
  Sr  Sr0  1  0.0  0.6  0.6  1.0
  Sr  Sr1  1  0.51  0.59  0.59  1.0
  Mn  Mn2  1  0.0  0.45  0.45  1.0
  Ge  Ge3  1  0.51  0.46  0.46  1.0

Sr Sr Mn Ge
Sr Sr Mn Ge 0 3 o o - 1 2 o o o 