data_La2MnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   55.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnB
_chemical_formula_sum   'La2 Mn1 B1'
_cell_volume   81.5
_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
  La  La1  1  0.08  0.0  0.85  1.0
  La  La2  1  0.0  0.0  0.6  1.0
  Mn  Mn3  1  0.08  0.0  0.47  1.0
  B  B0  1  0.0  0.0  0.38  1.0

data_La2MnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.53
_cell_length_c   4.88
_cell_angle_alpha   117.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnB
_chemical_formula_sum   'La2 Mn1 B1'
_cell_volume   81.5
_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
  La  La0  1  0.0  0.6  0.6  1.0
  La  La1  1  0.92  0.85  0.85  1.0
  Mn  Mn2  1  0.92  0.47  0.47  1.0
  B  B3  1  0.0  0.38  0.38  1.0

La La Mn B