data_Mn2FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   146.1
_cell_angle_beta   129.2
_cell_angle_gamma   62.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeB
_chemical_formula_sum   'Mn2 Fe1 B1'
_cell_volume   37.24
_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  Mn2  1  0.0  0.9  0.12  1.0
  Mn  Mn3  1  0.29  0.0  0.67  1.0
  Fe  Fe1  1  0.0  0.0  0.79  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Mn2FeB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   3.8
_cell_length_c   4.43
_cell_angle_alpha   115.4
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeB
_chemical_formula_sum   'Mn2 Fe1 B1'
_cell_volume   37.24
_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  0.67  0.38  1.0
  Mn  Mn1  1  0.1  0.22  0.22  1.0
  Fe  Fe2  1  0.0  0.79  0.79  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Mn Mn Fe B