# generated using pymatgen
data_Mg2Ni3MoS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09720674
_cell_length_b   7.14389234
_cell_length_c   7.09888003
_cell_angle_alpha   60.21574877
_cell_angle_beta   59.98937224
_cell_angle_gamma   60.21601781
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Ni3MoS8
_chemical_formula_sum   'Mg2 Ni3 Mo1 S8'
_cell_volume   255.31217835
_cell_formula_units_Z   1
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  0.87222600  0.88334400  0.87231100  1.0
  Mg  Mg1  1  0.12777500  0.11665700  0.12768700  1.0
  Ni  Ni2  1  0.49999700  0.50000500  0.49999600  1.0
  Ni  Ni3  1  0.50000400  0.49999400  0.00000400  1.0
  Ni  Ni4  1  0.00000200  0.49999800  0.50000500  1.0
  Mo  Mo5  1  0.49999200  0.00000000  0.50000700  1.0
  S  S6  1  0.74143500  0.72406400  0.74145000  1.0
  S  S7  1  0.25858300  0.27579600  0.70699300  1.0
  S  S8  1  0.26829300  0.69532000  0.26820300  1.0
  S  S9  1  0.70703800  0.27584200  0.25853700  1.0
  S  S10  1  0.73170300  0.30467900  0.73179100  1.0
  S  S11  1  0.29296700  0.72415100  0.74146000  1.0
  S  S12  1  0.25856400  0.27593600  0.25855300  1.0
  S  S13  1  0.74142600  0.72420900  0.29300500  1.0