# generated using pymatgen
data_Fe(Mo3Se4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72664519
_cell_length_b   9.72664519
_cell_length_c   11.15780028
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(Mo3Se4)2
_chemical_formula_sum   'Fe3 Mo18 Se24'
_cell_volume   914.18767729
_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  0.00000000  0.00000000  0.00000000  1
  Fe  Fe1  1  0.66666700  0.33333300  0.33333300  1
  Fe  Fe2  1  0.33333300  0.66666700  0.66666700  1
  Mo  Mo3  1  0.14872400  0.97762500  0.39781200  1
  Mo  Mo4  1  0.85127600  0.02237500  0.60218800  1
  Mo  Mo5  1  0.82890100  0.85127600  0.39781200  1
  Mo  Mo6  1  0.17109900  0.14872400  0.60218800  1
  Mo  Mo7  1  0.02237500  0.17109900  0.39781200  1
  Mo  Mo8  1  0.97762500  0.82890100  0.60218800  1
  Mo  Mo9  1  0.81539100  0.31095800  0.73114500  1
  Mo  Mo10  1  0.51794200  0.35570800  0.93552200  1
  Mo  Mo11  1  0.49556700  0.18460900  0.73114500  1
  Mo  Mo12  1  0.83776600  0.48205800  0.93552200  1
  Mo  Mo13  1  0.68904200  0.50443300  0.73114500  1
  Mo  Mo14  1  0.64429200  0.16223400  0.93552200  1
  Mo  Mo15  1  0.48205800  0.64429200  0.06447800  1
  Mo  Mo16  1  0.18460900  0.68904200  0.26885500  1
  Mo  Mo17  1  0.16223400  0.51794200  0.06447800  1
  Mo  Mo18  1  0.50443300  0.81539100  0.26885500  1
  Mo  Mo19  1  0.35570800  0.83776600  0.06447800  1
  Mo  Mo20  1  0.31095800  0.49556700  0.26885500  1
  Se  Se21  1  0.95104700  0.66502500  0.41344200  1
  Se  Se22  1  0.04895300  0.33497500  0.58655800  1
  Se  Se23  1  0.00000000  0.00000000  0.21616500  1
  Se  Se24  1  0.00000000  0.00000000  0.78383500  1
  Se  Se25  1  0.33497500  0.28602200  0.41344200  1
  Se  Se26  1  0.66502500  0.71397800  0.58655800  1
  Se  Se27  1  0.71397800  0.04895300  0.41344200  1
  Se  Se28  1  0.28602200  0.95104700  0.58655800  1
  Se  Se29  1  0.61771300  0.99835800  0.74677500  1
  Se  Se30  1  0.71562000  0.66830900  0.91989200  1
  Se  Se31  1  0.66666700  0.33333300  0.54949800  1
  Se  Se32  1  0.66666700  0.33333300  0.11716900  1
  Se  Se33  1  0.00164200  0.61935500  0.74677500  1
  Se  Se34  1  0.33169100  0.04731100  0.91989200  1
  Se  Se35  1  0.38064500  0.38228700  0.74677500  1
  Se  Se36  1  0.95268900  0.28438000  0.91989200  1
  Se  Se37  1  0.28438000  0.33169100  0.08010800  1
  Se  Se38  1  0.38228700  0.00164200  0.25322500  1
  Se  Se39  1  0.33333300  0.66666700  0.88283100  1
  Se  Se40  1  0.33333300  0.66666700  0.45050200  1
  Se  Se41  1  0.66830900  0.95268900  0.08010800  1
  Se  Se42  1  0.99835800  0.38064500  0.25322500  1
  Se  Se43  1  0.04731100  0.71562000  0.08010800  1
  Se  Se44  1  0.61935500  0.61771300  0.25322500  1
