data_MnGeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   3.37
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGeB2
_chemical_formula_sum   'Mn1 Ge1 B2'
_cell_volume   38.6
_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  0.27  1.0
  Ge  Ge2  1  0.3  0.69  0.22  1.0
  B  B0  1  0.3  0.69  0.41  1.0
  B  B1  1  0.0  0.0  0.13  1.0

data_MnGeB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   3.37
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGeB2
_chemical_formula_sum   'Mn1 Ge1 B2'
_cell_volume   38.6
_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  0.27  1.0
  Ge  Ge1  1  0.3  0.69  0.22  1.0
  B  B2  1  0.0  0.0  0.13  1.0
  B  B3  1  0.3  0.69  0.41  1.0

Mn Ge B B
Mn Ge B B 0 3 o o o 1 2 o o o 