data_BaMn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.34
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   100.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Ge
_chemical_formula_sum   'Ba1 Mn2 Ge1'
_cell_volume   97.36
_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
  Ba  Ba0  1  0.07  0.0  0.29  1.0
  Mn  Mn2  1  0.58  0.17  0.04  1.0
  Mn  Mn3  1  0.56  0.17  0.54  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0

data_BaMn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.34
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   100.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Ge
_chemical_formula_sum   'Ba1 Mn2 Ge1'
_cell_volume   97.36
_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
  Ba  Ba0  1  0.07  0.0  0.29  1.0
  Mn  Mn1  1  0.56  0.17  0.54  1.0
  Mn  Mn2  1  0.58  0.17  0.04  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

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