# generated using pymatgen
data_MgTiNiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25246996
_cell_length_b   7.19938134
_cell_length_c   7.19980137
_cell_angle_alpha   59.05927268
_cell_angle_beta   59.73499274
_cell_angle_gamma   59.73589334
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiNiS4
_chemical_formula_sum   'Mg2 Ti2 Ni2 S8'
_cell_volume   262.83294924
_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  0.87114100  0.87849400  0.87849200  1.0
  Mg  Mg1  1  0.12885500  0.12151100  0.12151500  1.0
  Ti  Ti2  1  0.50000500  0.49999100  0.00000000  1.0
  Ti  Ti3  1  0.49999500  0.99999600  0.50000900  1.0
  Ni  Ni4  1  0.50000500  0.50001500  0.49997600  1.0
  Ni  Ni5  1  0.00000000  0.49999600  0.50001100  1.0
  S  S6  1  0.74314800  0.73780300  0.73779700  1.0
  S  S7  1  0.26284300  0.27279900  0.70494900  1.0
  S  S8  1  0.26284200  0.70495100  0.27279700  1.0
  S  S9  1  0.71717800  0.26460000  0.26459000  1.0
  S  S10  1  0.73714800  0.29505400  0.72718900  1.0
  S  S11  1  0.28282300  0.73539200  0.73540900  1.0
  S  S12  1  0.25685000  0.26218900  0.26221700  1.0
  S  S13  1  0.73717100  0.72720600  0.29504900  1.0