data_BaMnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   6.04
_cell_angle_alpha   108.66
_cell_angle_beta   108.66
_cell_angle_gamma   46.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnB2
_chemical_formula_sum   'Ba1 Mn1 B2'
_cell_volume   63.47
_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  Ba2  1  0.56  0.0  0.83  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.51  1.0
  B  B1  1  0.12  0.0  0.15  1.0

data_BaMnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.93
_cell_length_c   6.04
_cell_angle_alpha   108.66
_cell_angle_beta   90.0
_cell_angle_gamma   113.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnB2
_chemical_formula_sum   'Ba1 Mn1 B2'
_cell_volume   63.47
_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  0.0  0.44  0.17  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.0  0.88  0.85  1.0
  B  B3  1  0.0  1.0  0.49  1.0

Ba Mn B B