# generated using pymatgen
data_Mn3FeB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94236095
_cell_length_b   4.09113670
_cell_length_c   5.49657972
_cell_angle_alpha   90.02613013
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3FeB4
_chemical_formula_sum   'Mn3 Fe1 B4'
_cell_volume   66.16562583
_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  0.75000000  0.62189898  0.32658869  1.0
  Mn  Mn1  1  0.75000000  0.87772971  0.82266385  1.0
  Mn  Mn2  1  0.25000000  0.12096336  0.17493772  1.0
  Fe  Fe3  1  0.25000000  0.37790798  0.67553823  1.0
  B  B4  1  0.25000000  0.88556761  0.53428840  1.0
  B  B5  1  0.75000000  0.11686412  0.46456947  1.0
  B  B6  1  0.75000000  0.38302050  0.96698979  1.0
  B  B7  1  0.25000000  0.61604675  0.03442384  1.0