# generated using pymatgen
data_MgNiMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27999178
_cell_length_b   7.30354503
_cell_length_c   7.30283717
_cell_angle_alpha   56.08456555
_cell_angle_beta   60.04460859
_cell_angle_gamma   60.05135942
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNiMoS4
_chemical_formula_sum   'Mg2 Ni2 Mo2 S8'
_cell_volume   265.71527338
_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
  Mg  Mg0  1  0.86894874  0.88015151  0.87965401  1.0
  Mg  Mg1  1  0.13098583  0.11992159  0.12040799  1.0
  Ni  Ni2  1  0.49998651  0.49999187  0.49997136  1.0
  Ni  Ni3  1  0.00004498  0.49998157  0.49998993  1.0
  Mo  Mo4  1  0.49996302  0.50066695  0.99939523  1.0
  Mo  Mo5  1  0.49997842  0.99938769  0.50066658  1.0
  S  S6  1  0.75399020  0.73447454  0.73432831  1.0
  S  S7  1  0.26865048  0.26705813  0.69833212  1.0
  S  S8  1  0.26872142  0.69836882  0.26693030  1.0
  S  S9  1  0.72310195  0.26469393  0.26480033  1.0
  S  S10  1  0.73126803  0.30169857  0.73301007  1.0
  S  S11  1  0.27660987  0.73523957  0.73514815  1.0
  S  S12  1  0.24639765  0.26546342  0.26564116  1.0
  S  S13  1  0.73135690  0.73289683  0.30172546  1.0