# generated using pymatgen
data_MnFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81291094
_cell_length_b   3.99427025
_cell_length_c   20.07678735
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe4
_chemical_formula_sum   'Mn4 Fe16'
_cell_volume   225.57327598
_cell_formula_units_Z   4
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  0.00000000  0.00000000  0.00000000  1
  Mn  Mn1  1  0.50000000  0.00000000  0.50000000  1
  Mn  Mn2  1  0.50000000  0.50000000  0.00000000  1
  Mn  Mn3  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe4  1  0.00000000  0.00000000  0.19972900  1
  Fe  Fe5  1  0.00000000  0.00000000  0.80027100  1
  Fe  Fe6  1  0.50000000  0.00000000  0.69972900  1
  Fe  Fe7  1  0.50000000  0.00000000  0.30027100  1
  Fe  Fe8  1  0.50000000  0.50000000  0.19972900  1
  Fe  Fe9  1  0.50000000  0.50000000  0.80027100  1
  Fe  Fe10  1  0.00000000  0.50000000  0.69972900  1
  Fe  Fe11  1  0.00000000  0.50000000  0.30027100  1
  Fe  Fe12  1  0.00000000  0.00000000  0.40073700  1
  Fe  Fe13  1  0.00000000  0.00000000  0.59926300  1
  Fe  Fe14  1  0.50000000  0.00000000  0.90073700  1
  Fe  Fe15  1  0.50000000  0.00000000  0.09926300  1
  Fe  Fe16  1  0.50000000  0.50000000  0.40073700  1
  Fe  Fe17  1  0.50000000  0.50000000  0.59926300  1
  Fe  Fe18  1  0.00000000  0.50000000  0.90073700  1
  Fe  Fe19  1  0.00000000  0.50000000  0.09926300  1
