# generated using pymatgen
data_Mg2TiNi3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15548332
_cell_length_b   7.06948522
_cell_length_c   7.14731188
_cell_angle_alpha   59.71831096
_cell_angle_beta   59.96559916
_cell_angle_gamma   59.76297111
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TiNi3S8
_chemical_formula_sum   'Mg2 Ti1 Ni3 S8'
_cell_volume   254.58248988
_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  0.87469100  0.87634500  0.87440600  1.0
  Mg  Mg1  1  0.12531100  0.12365400  0.12559700  1.0
  Ti  Ti2  1  0.49999300  0.99999700  0.50000900  1.0
  Ni  Ni3  1  0.50000000  0.50001800  0.49997900  1.0
  Ni  Ni4  1  0.50000400  0.49999300  0.00000400  1.0
  Ni  Ni5  1  0.99999900  0.49999400  0.50000800  1.0
  S  S6  1  0.74159800  0.72473000  0.74133500  1.0
  S  S7  1  0.25863300  0.27514500  0.70805300  1.0
  S  S8  1  0.26781800  0.69642900  0.26802900  1.0
  S  S9  1  0.70820400  0.27501600  0.25876300  1.0
  S  S10  1  0.73217200  0.30357300  0.73196000  1.0
  S  S11  1  0.29179600  0.72497600  0.74123900  1.0
  S  S12  1  0.25840000  0.27526000  0.25867700  1.0
  S  S13  1  0.74138500  0.72486400  0.29194100  1.0