# generated using pymatgen
data_FeMo3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49099990
_cell_length_b   6.51368243
_cell_length_c   6.52809029
_cell_angle_alpha   97.38980144
_cell_angle_beta   91.30439286
_cell_angle_gamma   95.91651429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeMo3S4
_chemical_formula_sum   'Fe2 Mo6 S8'
_cell_volume   272.07752696
_cell_formula_units_Z   2
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  0.99710200  0.14767600  0.90515100  1
  Fe  Fe1  1  0.00289800  0.85232400  0.09484900  1
  Mo  Mo2  1  0.77943700  0.59046500  0.45012600  1
  Mo  Mo3  1  0.22056300  0.40953500  0.54987400  1
  Mo  Mo4  1  0.45724500  0.78159000  0.59806100  1
  Mo  Mo5  1  0.54275500  0.21841000  0.40193900  1
  Mo  Mo6  1  0.58368600  0.46299200  0.77732100  1
  Mo  Mo7  1  0.41631400  0.53700800  0.22267900  1
  S  S8  1  0.73553600  0.35995800  0.12052000  1
  S  S9  1  0.26446400  0.64004200  0.87948000  1
  S  S10  1  0.79647900  0.81332900  0.78569100  1
  S  S11  1  0.20352100  0.18667100  0.21430900  1
  S  S12  1  0.64157800  0.86002200  0.26891100  1
  S  S13  1  0.35842200  0.13997800  0.73108900  1
  S  S14  1  0.14437000  0.72346800  0.38529400  1
  S  S15  1  0.85563000  0.27653200  0.61470600  1
