# generated using pymatgen
data_Fe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67617570
_cell_length_b   4.67617570
_cell_length_c   7.78128555
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Mo
_chemical_formula_sum   'Fe8 Mo4'
_cell_volume   147.35457565
_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
  Fe  Fe0  1  0.17052900  0.82947100  0.25000000  1
  Fe  Fe1  1  0.17052900  0.34105800  0.25000000  1
  Fe  Fe2  1  0.65894200  0.82947100  0.25000000  1
  Fe  Fe3  1  0.82947100  0.17052900  0.75000000  1
  Fe  Fe4  1  0.82947100  0.65894200  0.75000000  1
  Fe  Fe5  1  0.34105800  0.17052900  0.75000000  1
  Fe  Fe6  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1
  Mo  Mo8  1  0.33333300  0.66666700  0.93178300  1
  Mo  Mo9  1  0.66666700  0.33333300  0.06821700  1
  Mo  Mo10  1  0.66666700  0.33333300  0.43178300  1
  Mo  Mo11  1  0.33333300  0.66666700  0.56821700  1
