data_MnGeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   142.96
_cell_angle_beta   136.25
_cell_angle_gamma   58.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGeB2
_chemical_formula_sum   'Mn1 Ge1 B2'
_cell_volume   42.12
_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  0.87  1.0
  Ge  Ge2  1  0.48  0.0  0.79  1.0
  B  B0  1  0.48  0.0  0.85  1.0
  B  B1  1  0.0  0.0  0.71  1.0

data_MnGeB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   3.48
_cell_length_c   4.67
_cell_angle_alpha   111.88
_cell_angle_beta   108.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGeB2
_chemical_formula_sum   'Mn1 Ge1 B2'
_cell_volume   42.12
_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  0.87  0.87  1.0
  Ge  Ge1  1  0.0  0.79  0.31  1.0
  B  B2  1  0.0  0.71  0.71  1.0
  B  B3  1  0.0  0.85  0.37  1.0

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