# generated using pymatgen
data_NiMo3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41673132
_cell_length_b   6.56910181
_cell_length_c   6.58980636
_cell_angle_alpha   98.21008447
_cell_angle_beta   97.01569483
_cell_angle_gamma   91.39803794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMo3S4
_chemical_formula_sum   'Ni2 Mo6 S8'
_cell_volume   272.62162425
_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
  Ni  Ni0  1  0.16524600  0.90847400  0.94321300  1
  Ni  Ni1  1  0.83475400  0.09152600  0.05678700  1
  Mo  Mo2  1  0.45802200  0.60328700  0.79317700  1
  Mo  Mo3  1  0.78055300  0.45626600  0.59026700  1
  Mo  Mo4  1  0.40781100  0.21282500  0.53545400  1
  Mo  Mo5  1  0.59218900  0.78717500  0.46454600  1
  Mo  Mo6  1  0.21944700  0.54373400  0.40973300  1
  Mo  Mo7  1  0.54197800  0.39671300  0.20682300  1
  S  S8  1  0.64184900  0.28087700  0.85563200  1
  S  S9  1  0.14294000  0.38619100  0.71838600  1
  S  S10  1  0.80283700  0.81155400  0.80684600  1
  S  S11  1  0.26957700  0.87709100  0.63020000  1
  S  S12  1  0.73042300  0.12290900  0.36980000  1
  S  S13  1  0.19716300  0.18844600  0.19315400  1
  S  S14  1  0.85706000  0.61380900  0.28161400  1
  S  S15  1  0.35815100  0.71912300  0.14436800  1
