# generated using pymatgen
data_Fe7Mo6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76002934
_cell_length_b   4.76002934
_cell_length_c   25.52338547
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7Mo6
_chemical_formula_sum   'Fe21 Mo18'
_cell_volume   500.82750335
_cell_formula_units_Z   3
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  0.83412800  0.16587200  0.25739100  1
  Fe  Fe1  1  0.83412800  0.66825700  0.25739100  1
  Fe  Fe2  1  0.83253800  0.66507600  0.07594300  1
  Fe  Fe3  1  0.33492400  0.16746200  0.07594300  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe5  1  0.33174300  0.16587200  0.25739100  1
  Fe  Fe6  1  0.83253800  0.16746200  0.07594300  1
  Fe  Fe7  1  0.50079500  0.49920500  0.59072400  1
  Fe  Fe8  1  0.50079500  0.00159000  0.59072400  1
  Fe  Fe9  1  0.49920500  0.99841000  0.40927600  1
  Fe  Fe10  1  0.00159000  0.50079500  0.40927600  1
  Fe  Fe11  1  0.66666700  0.33333300  0.33333300  1
  Fe  Fe12  1  0.99841000  0.49920500  0.59072400  1
  Fe  Fe13  1  0.49920500  0.50079500  0.40927600  1
  Fe  Fe14  1  0.16746200  0.83253800  0.92405700  1
  Fe  Fe15  1  0.16746200  0.33492400  0.92405700  1
  Fe  Fe16  1  0.16587200  0.33174300  0.74260900  1
  Fe  Fe17  1  0.66825700  0.83412800  0.74260900  1
  Fe  Fe18  1  0.33333300  0.66666700  0.66666700  1
  Fe  Fe19  1  0.66507600  0.83253800  0.92405700  1
  Fe  Fe20  1  0.16587200  0.83412800  0.74260900  1
  Mo  Mo21  1  0.33333300  0.66666700  0.01322500  1
  Mo  Mo22  1  0.00000000  0.00000000  0.16589100  1
  Mo  Mo23  1  0.33333300  0.66666700  0.21597400  1
  Mo  Mo24  1  0.33333300  0.66666700  0.32010900  1
  Mo  Mo25  1  0.33333300  0.66666700  0.11736000  1
  Mo  Mo26  1  0.66666700  0.33333300  0.16744200  1
  Mo  Mo27  1  0.00000000  0.00000000  0.34655800  1
  Mo  Mo28  1  0.66666700  0.33333300  0.49922400  1
  Mo  Mo29  1  0.00000000  0.00000000  0.54930700  1
  Mo  Mo30  1  0.00000000  0.00000000  0.65344200  1
  Mo  Mo31  1  0.00000000  0.00000000  0.45069300  1
  Mo  Mo32  1  0.33333300  0.66666700  0.50077600  1
  Mo  Mo33  1  0.66666700  0.33333300  0.67989100  1
  Mo  Mo34  1  0.33333300  0.66666700  0.83255800  1
  Mo  Mo35  1  0.66666700  0.33333300  0.88264000  1
  Mo  Mo36  1  0.66666700  0.33333300  0.98677500  1
  Mo  Mo37  1  0.66666700  0.33333300  0.78402600  1
  Mo  Mo38  1  0.00000000  0.00000000  0.83410900  1
